uspto-grants-2015_02 · 10.6084/m9.figshare.5104873.v1 · US08946278B2
查看![N-((1S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}ethyl)-5-methyl-4-[1-methyl-4-(1-methylethyl)-1H-pyrazol-5-yl]-2-thiophenecarboxamide 分子结构式](/api/mol/57826580/svg/360x280.svg)
HCID57826580
N-((1S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}ethyl)-5-methyl-4-[1-methyl-4-(1-methylethyl)-1H-pyrazol-5-yl]-2-thiophenecarboxamide
N-[(2S)-1-(1,3-dioxoisoindol-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-methyl-4-(1-methyl-4-propan-2-ylpyrazol-5-yl)thiophene-2-carboxamide
C31H29F3N4O3S594.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1sc(C(=O)N[C@@H](Cc2ccccc2C(F)(F)F)CN2C(=O)c3ccccc3C2=O)cc1-c1c(C(C)C)cnn1C
- InChIKey
- HVOYBSFZCAPKOW-FQEVSTJZSA-N
- 分子式
- C31H29F3N4O3S
- 平均分子量
- 594.6 g/mol
- 单同位素质量
- 594.19124646
COMPUTED
结构计算性质
- XLogP
- 6.3
- 极性表面积
- 113 Ų
- 氢键供体
- 1
- 氢键受体
- 8
- 可旋转键
- 8
- 重原子
- 42
- 形式电荷
- 0
- 复杂度
- 988
ALIASES
名称与别名
N-((1S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-{[2-(trifluoromethyl)phenyl]methyl}ethyl)-5-methyl-4-[1-methyl-4-(1-methylethyl)-1H-pyrazol-5-yl]-2-thiophenecarboxamideSCHEMBL1529899
REACTIONS
