uspto-grants-2015_05 · 10.6084/m9.figshare.5104873.v1 · US09040515B2
查看![5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one 分子结构式](/api/mol/86723730/svg/360x280.svg)
HCID86723730
5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1-one
C22H21Cl2N3O3446.3 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1cc(C)c(CN2CCc3c(Cl)cc(-c4c(C)noc4C)c(Cl)c3C2=O)c(=O)[nH]1
- InChIKey
- PDKDOPJQPKXNCT-UHFFFAOYSA-N
- 分子式
- C22H21Cl2N3O3
- 平均分子量
- 446.3 g/mol
- 单同位素质量
- 445.0959969
COMPUTED
结构计算性质
- XLogP
- 3.6
- 极性表面积
- 75.4 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子
- 30
- 形式电荷
- 0
- 复杂度
- 798
ALIASES
名称与别名
PF-067263041616287-82-15,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-oneCHEMBL39110175,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1-one5,8-Dichloro-2-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-7-(3,5-dimethylisoxazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-oneC22H21Cl2N3O3orb1309262SCHEMBL15813960SCHEMBL29408702SCHEMBL29408704PDKDOPJQPKXNCT-UHFFFAOYSA-NEX-A6650RPC28782BDBM50193709MFCD31563584s8494AKOS040734425AT16259CCG-269189
REACTIONS
参与反应