uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08088815B2
查看![rac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (4-fluoro-phenyl)-amide 分子结构式](/api/mol/75985739/svg/360x280.svg)
HCID75985739
rac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (4-fluoro-phenyl)-amide
6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-N-(4-fluorophenyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
C29H27Cl2F2N3O2558.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)CC1NC(C(=O)Nc2ccc(F)cc2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12
- InChIKey
- IILRXVPGEWGYIU-UHFFFAOYSA-N
- 分子式
- C29H27Cl2F2N3O2
- 平均分子量
- 558.4 g/mol
- 单同位素质量
- 557.1448388
COMPUTED
结构计算性质
- XLogP
- 6.3
- 极性表面积
- 70.2 Ų
- 氢键供体
- 3
- 氢键受体
- 5
- 可旋转键
- 5
- 重原子
- 38
- 形式电荷
- 0
- 复杂度
- 896
ALIASES
名称与别名
IILRXVPGEWGYIU-UHFFFAOYSA-Nrac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (4-fluoro-phenyl)-amide
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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