HRID1098177
uspto-grants-2012_03
作为生成物
uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08143263B2
查看条件与参与物HCID57504520
(2S)-3-[2-(tert-butyl-diphenylsilyl)oxyethoxy]-2-[1-(3-chloro-2-methylphenyl)pyrazolo[4,5-e]pyrimidin-4-yl]oxy-N-(5-cyanopyridin-2-yl)propanamide
(2S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]-2-[1-(3-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-cyano-2-pyridinyl)propanamide
C39H38ClN7O4Si732.3 g/mol
IDENTITY
结构与身份
- 标准 SMILES
- Cc1c(Cl)cccc1-n1ncc2c(O[C@@H](COCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(=O)Nc3ccc(C#N)cn3)ncnc21
- InChIKey
- VDPXKKDFPPMQQW-UMSFTDKQSA-N
- 分子式
- C39H38ClN7O4Si
- 平均分子量
- 732.3 g/mol
- 单同位素质量
- 731.2443069
COMPUTED
结构计算性质
- 极性表面积
- 137 Ų
- 氢键供体
- 1
- 氢键受体
- 9
- 可旋转键
- 14
- 重原子
- 52
- 形式电荷
- 0
- 复杂度
- 1,170
ALIASES
名称与别名
SCHEMBL839350VDPXKKDFPPMQQW-UMSFTDKQSA-N(2S)-3-[2-(tert-butyl-diphenylsilyl)oxyethoxy]-2-[1-(3-chloro-2-methylphenyl)pyrazolo[4,5-e]pyrimidin-4-yl]oxy-N-(5-cyanopyridin-2-yl)propanamide
REACTIONS