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2-[(1S,2S)-1-乙基-2-苄氧基丙基]-2,4-二氢-4-[4-[4-(4-羟基苯基)-1-哌嗪基]苯基]-3H-1,2,4-三氮唑-3-酮 | 184177-83-1

2-[(1S,2S)-1-乙基-2-苄氧基丙基]-2,4-二氢-4-[4-[4-(4-羟基苯基)-1-哌嗪基]苯基]-3H-1,2,4-三氮唑-3-酮
2-(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl-2,4-dihydro-4-4-4-(4-hydroxyphenyl)-1-piperazinylphenyl-3H-1,2,4-triazol-3-one
184177-83-1
C30H35N5O3
513.6306
46223297
名称和标识符
MDL MFCD18374617
InChIKey QLRPRKJUMRQTOV-IADCTJSHSA-N
Inchi 1S/C30H35N5O3/c1-3-29(23(2)38-21-24-7-5-4-6-8-24)35-30(37)34(22-31-35)27-11-9-25(10-12-27)32-17-19-33(20-18-32)26-13-15-28(36)16-14-26/h4-16,22-23,29,36H,3,17-21H2,1-2H3/t23-,29-/m0/s1
SMILES O=C1N([C@@H](CC)[C@@H](OCC2=CC=CC=C2)C)N=CN1C3=CC=C(N4CCN(C5=CC=C(O)C=C5)CC4)C=C3
别名信息
- 中文别名 -
  • 2-[(1S,2S)-1-乙基-2-苄氧基丙基]-2,4-二氢-4-[4-[4-(4-羟基苯基)-1-哌嗪基]苯基]-3H-1,2,4-三氮唑-3-酮
  • 2-((1S,2S)-1-乙基-2-苄氧基丙基)-2,4-二氢-4-(4-(4-(4-羟基苯基)-1-哌嗪基)苯基)-3H-1,2,4-三氮唑-3-酮
  • 2-(2,4-二氟苯基)-1-(1H-1,2,4-噻唑-1-基)-3-(4H-1,2,4-三唑-4-基)-2-丙醇
  • 2,4-二氢-4-[[4-(4-羟基苯基)-1-哌嗪基]苯基]-2-(1-甲基丙基)-3H-1,2,4-三氮唑-3-酮
  • 2-[(1S,2S)-1-乙基-2-苄氧基丙基]-2,4-二氢-4-[4-[4-(4-羟基苯基)-1-哌嗪基]苯基]-3H-1,2
  • 4-(4-(4-(4-羟苯基)-1-哌啶基)苯基)-2-[(1S,2S)-1-乙基-2-(苄氧基)丙基]-2,4-二氢-3H-1,2,4-三唑-3-酮
  • 泊沙侧链3
  • 泊沙康唑
  • 泊沙康唑侧链
  • 泊沙康唑中间体O
  • 甲基磷酸乙酯
  • 泊沙康唑中间体10
  • 1-((2S,3S)-2-(苄氧基)戊-3-基)-4-(4-(4-(4-羟基苯基)哌嗪-1-基)苯基)-1H-1,2,4-三氮唑-5(4H)-酮
  • 2-[(1S,2S)-1-乙基-2-苄氧基丙基]-2,4-二氢-4-[4-[4-(4-羟基苯基)-1
  • 泊沙康唑-2
  • 泊沙侧链
  • 泊沙康唑中间体3
  • 泊沙康唑中间体B
  • 泊沙康唑中间体0
  • 泊沙康唑中间体POB
- 英文别名 -
  • 1-((2S,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
  • 2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1,2,4-Triazol-3-one,
  • 1-((2S,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)-piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
  • 2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazo...
  • 2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
  • 2-[(1S,2S)-1-Ethyl-2-benzyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
  • 3H-1,2,4-Triazol-3-one, 2-[1-ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-, [S-(R*,R*)]- (9CI)
  • Posaconazole inter-2 3H-1,2,4-Triazol-3-one,2-[(1S,2S)-1-ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-
  • Posaconazole side chain
  • Posaconazole int2
  • Posaconazole Intermediate2
  • Posazonazole intermediate POB
  • 2-[(1S,2S)-1-Ethyl-2-benzyloxypropyl]-2,4-dihydro-4-[4-[4-(4-
  • 1-((2S,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)-piperazin-1-yl)phenyl)-1H-1,2,4
  • 1-((2S,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)-piperazin-1-yl)phenyl)-1H-1,2,4-tr
  • 2-[(1S,2S)-2-benzyloxy-1-ethyl-propyl]-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
  • 4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one
  • J-507563
  • 2-((2S,3R)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-2H-1,2,4-triazol-3(4H)-one
  • 1-((2S,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl) piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one
  • BCP08707
  • QLRPRKJUMRQTOV-IADCTJSHSA-N
  • 1-[(2S,3S)-2-(benzyloxy)pentan-3-yl]-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one
  • DS-16617
  • 184177-83-1
  • F16787
  • AKOS015901158
  • 2-((2S,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
  • 1-((2s,3s)-2-(benzyloxy)pentan-3-yl) -4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl) phenyl)-1h-1,2,4-triazol-5(4h)-one
  • 2-[(1S,2S)-1-ETHYL-2-(PHENYLMETHOXY)PROPYL]-2,4-DIHYDRO-4-[4-[4-(4-HYDROXYPHENYL)-1-PIPERAZINYL]PHENYL]-3H-1,2,4-TRIAZOL-3-ONE
  • AH978V32DS
  • A812840
  • 2-[(1S,2S)-1-Ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
  • MFCD18374617
  • 2-[(1S,2S)-1-ethyl-2-bezyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]- 3H-1,2,4-Triazol-3-one
  • CS-M2661
  • 2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phen
  • 3H-1,2,4-TRIAZOL-3-ONE, 2-((1S,2S)-1-ETHYL-2-(PHENYLMETHOXY)PROPYL)-2,4-DIHYDRO-4-(4-(4-(4-HYDROXYPHENYL)-1-PIPERAZINYL)PHENYL)-
  • SCHEMBL3960227
  • 3H-1,2,4-Triazol-3-one, 2-[(1S,2S)-1-ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-
  • 2-((1S,2S)-1-ETHYL-2-(PHENYLMETHOXY)PROPYL)-2,4-DIHYDRO-4-(4-(4-(4-HYDROXYPHENYL)-1-PIPERAZINYL)PHENYL)-3H-1,2,4-TRIAZOL-3-ONE
  • EN300-345916
  • 3H-1,2,4-Triazol-3-one,2-[1-ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-,[S-(R*,R*)]- (9CI)
物化性质
实验特性
LogP 4.75260
PSA 75.76000
折射率 1.632
沸点 685.4°C at 760 mmHg
蒸气压 0.0±2.2 mmHg at 25°C
闪点 368.3±34.3 °C
颜色与性状 Powder
密度 1.22
计算特性
精确分子量 513.27400
氢键供体数量 1
氢键受体数量 8
可旋转化学键数量 9
同位素质量 513.274
重原子数量 38
复杂度 766
同位素原子数量 0
确定原子立构中心数量 2
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 5.2
拓扑分子极性表面积 71.8A^2
专业数据库参考
PubChemId 46223297
参考资料
Reaxys RN
化合物详情(旧版)

物理化学性质

沸 点:685.351 °C at 760 mmHg
折 射 率:1.632
闪 光 点:368.287 °C
密 度:1.22
外 观:灰色固体
 

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应用领域



化学品安全说明书(MSDS)



储运特性





2-[(1S,2S)-1-乙基-2-苄氧基丙基]-2,4-二氢-4-[4-[4-(4-羟基苯基)-1-哌嗪基]苯基]-3H-1,2,4-三氮唑-3-酮推荐生产厂家
与2-[(1S,2S)-1-乙基-2-苄氧基丙基]-2,4-二氢-4-[4-[4-(4-羟基苯基)-1-哌嗪基]苯基]-3H-1,2,4-三氮唑-3-酮相关的问答
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