6-[[4-[2-[4-(1,1-二甲基乙基)苯基]-1H-苯并咪唑-7-基]-1-哌嗪基]甲基]-二氢喹喔啉 | 872002-73-8
6-[[4-[2-[4-(1,1-二甲基乙基)苯基]-1H-苯并咪唑-7-基]-1-哌嗪基]甲基]-二氢喹喔啉
WAY 207024 dihydrochloride
872002-73-8
C30H33ClN6
513.076225042343
名称和标识符
InChIKey |
ZFJMZFLFYLKHIW-UHFFFAOYSA-N |
Inchi |
1S/C30H32N6.ClH/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24;/h4-14,19H,15-18,20H2,1-3H3,(H,33,34);1H |
SMILES |
Cl.N1C2C(=CC(CN3CCN(C4C5=C(N=C(C6C=CC(C(C)(C)C)=CC=6)N5)C=CC=4)CC3)=CC=2)N=CC=1 |
别名信息
- 中文别名 -
- 6-[[4-[2-[4-(1,1-二甲基乙基)苯基]-1H-苯并咪唑-7-基]-1-哌嗪基]甲基]-二氢喹喔啉
- 英文别名 -
- WAY 207024 dihydrochloride
- 6-[[4-[2-[4-(1,1-Dimethylethyl)phenyl]-1H-benzimidazol-7-yl]-i-piperazinyl]methyl]-quinoxalinedihydrochloride
- 6-[[4-[2-[4-(1,1-Dimethylethyl)phenyl]-1H-benzimidazol-7-yl]-i-piperazinyl]methyl]-quinoxaline dihydrochloride
- Quinoxaline, 6-[[4-[2-[4-(1,1-dimethylethyl)phenyl]-1H-benzimidazol-4-yl]-1-piperazinyl]methyl]-, dihydrochloride (9CI)
- 2-(4-tert-Butylphenyl)-4-[4-[(6-quinoxalyl)methyl]piperazin-1-yl]benzimidazole dihydrochloride
物化性质
计算特性
氢键供体数量 |
3 |
氢键受体数量 |
5 |
可旋转化学键数量 |
5 |
重原子数量 |
38 |
复杂度 |
707 |
拓扑分子极性表面积 |
60.9 |