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

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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

已同步

XLogP: 6.3
极性表面积: 113 Å²
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

共 2 条

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