uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835422B2
查看![(S)-3-(3,4-difluorophenyl)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-6,6-dimethyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxamide 分子结构式](/api/mol/66660428/svg/360x280.svg)
HCID66660428
(S)-3-(3,4-difluorophenyl)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-6,6-dimethyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxamide
3-(3,4-difluorophenyl)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-6,6-dimethyl-5,7,8,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
C23H31F2N5O2447.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CNC(=O)[C@@H](NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1CNCC(C)(C)C2)C(C)(C)C
- InChIKey
- NMXGRSBYATXJNK-GOSISDBHSA-N
- 分子式
- C23H31F2N5O2
- 平均分子量
- 447.5 g/mol
- 单同位素质量
- 447.24458157
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 88.1 Ų
- 氢键供体
- 3
- 氢键受体
- 6
- 可旋转键
- 5
- 重原子
- 32
- 形式电荷
- 0
- 复杂度
- 698
ALIASES
名称与别名
SCHEMBL343244NMXGRSBYATXJNK-GOSISDBHSA-N(S)-3-(3,4-difluorophenyl)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-6,6-dimethyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxamide
REACTIONS
参与反应
uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835422B2
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