哌嗪,1-[双(4-氟苯基)甲基]-4-(3-苯基-2-丙烯-1-基)- | 40218-96-0
中文名称:
哌嗪,1-[双(4-氟苯基)甲基]-4-(3-苯基-2-丙烯-1-基)-
英文名称:
Piperazine,1-[bis(4-fluorophenyl)methyl]-4-(3-phenyl-2-propen-1-yl)-
CAS No.:
40218-96-0
分子式:
C2 6 H2 6 N2 F2
分子量:
404.49484
名称和标识符
InChIKey
SMANXXCATUTDDT-QPJJXVBHSA-N
Inchi
InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
SMILES
FC1C=CC(C(C2C=CC(F)=CC=2)N2CCN(C/C=C/C3C=CC=CC=3)CC2)=CC=1
物化性质
计算特性
精确分子量
404.20640516g/mol
氢键供体数量
0
氢键受体数量
4
可旋转化学键数量
6
同位素质量
404.20640516g/mol
重原子数量
30
复杂度
487
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
1
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)
6
拓扑分子极性表面积
6.5Ų
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