uspto-grants-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07132533B2
查看![(2r)-2-Amino-2-(4-hydroxyphenyl)-n-(6-oxo-2-phenyl-5,6-dihydro-1h-[1,2]diazepino[4,5,6-cd]indol-8-yl)ethanamide hydrochloride 分子结构式](/api/mol/136401950/svg/360x280.svg)
HCID136401950
(2r)-2-Amino-2-(4-hydroxyphenyl)-n-(6-oxo-2-phenyl-5,6-dihydro-1h-[1,2]diazepino[4,5,6-cd]indol-8-yl)ethanamide hydrochloride
(2R)-2-amino-2-(4-hydroxyphenyl)-N-(9-oxo-2-phenyl-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)acetamide;hydrochloride
C24H20ClN5O3461.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cl.N[C@@H](C(=O)Nc1cc2c3c(c(-c4ccccc4)[nH]c3c1)C=NNC2=O)c1ccc(O)cc1
- InChIKey
- TWYJYUIFEPPLLC-ZMBIFBSDSA-N
- 分子式
- C24H20ClN5O3
- 平均分子量
- 461.9 g/mol
- 单同位素质量
- 461.1254672
COMPUTED
结构计算性质
- 极性表面积
- 133 Ų
- 氢键供体
- 6
- 氢键受体
- 5
- 可旋转键
- 4
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 731
ALIASES
名称与别名
SCHEMBL4780557TWYJYUIFEPPLLC-ZMBIFBSDSA-N(2r)-2-amino-2-(4-hydroxyphenyl)-n-(6-oxo-2-phenyl-5,6-dihydro-1h-[1,2]diazepino[4,5,6-cd]indol-8-yl)ethanamide hydrochloride
REACTIONS
