Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
查看![5-[3-(2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethyl-2-(2-oxo-oxazolidin-3-yl)-benzamide 分子结构式](/api/mol/68662971/svg/360x280.svg)
HCID68662971
5-[3-(2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethyl-2-(2-oxo-oxazolidin-3-yl)-benzamide
5-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-N,N-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)benzamide
C31H37N5O5Si587.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3ccc(N4CCOC4=O)c(C(=O)N(C)C)c3)cc12
- InChIKey
- DYBSTFAMYBQPHM-UHFFFAOYSA-N
- 分子式
- C31H37N5O5Si
- 平均分子量
- 587.7 g/mol
- 单同位素质量
- 587.25639583
COMPUTED
结构计算性质
- 极性表面积
- 99 Ų
- 氢键供体
- 0
- 氢键受体
- 7
- 可旋转键
- 10
- 重原子
- 42
- 形式电荷
- 0
- 复杂度
- 934
ALIASES
名称与别名
SCHEMBL3490316DYBSTFAMYBQPHM-UHFFFAOYSA-N5-[3-(2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N,N-dimethyl-2-(2-oxo-oxazolidin-3-yl)-benzamide
REACTIONS
