HRID23663
uspto-grants-2005_02
作为生成物
uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06852731B2
查看条件与参与物HCID10218485
2-{[{2-[3-(acetylamino)phenyl]-2-hydroxyethyl}(methyl)amino]methyl}-N-(4-chlorobenzyl)-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide
2-[[[2-(3-acetamidophenyl)-2-hydroxyethyl]-methylamino]methyl]-N-[(4-chlorophenyl)methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
C29H31ClN4O4S567.1 g/mol
IDENTITY
结构与身份
- 标准 SMILES
- CC(=O)Nc1cccc(C(O)CN(C)Cc2sc3c(=O)c(C(=O)NCc4ccc(Cl)cc4)cn(C)c3c2C)c1
- InChIKey
- HTSVOAFCEWPZJO-UHFFFAOYSA-N
- 分子式
- C29H31ClN4O4S
- 平均分子量
- 567.1 g/mol
- 单同位素质量
- 566.1754544
COMPUTED
结构计算性质
- XLogP
- 4.1
- 极性表面积
- 130 Ų
- 氢键供体
- 3
- 氢键受体
- 7
- 可旋转键
- 9
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 927
ALIASES
名称与别名
CHEMBL232753SCHEMBL6323475HTSVOAFCEWPZJO-UHFFFAOYSA-N2-{[{2-[3-(acetylamino)phenyl]-2-hydroxyethyl}(methyl)amino]methyl}-N-(4-chlorobenzyl)-3,4-dimethyl-7-oxo-4,7-dihydrothieno[3,2-b]pyridine-6-carboxamide
REACTIONS
参与反应
HRID201173
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为生成物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物