HCID53323974

(S)-N-(5-((3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide

N-[(2S)-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

C21H26F3N3O2S441.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3nc(C(F)(F)F)c4c3CCCC4)cc2C1
InChIKey: BZZWAKXRPMLXKU-KRWDZBQOSA-N
分子式: C21H26F3N3O2S
平均分子量: 441.5 g/mol
单同位素质量: 441.16978274

COMPUTED

结构计算性质

已同步

XLogP: 4.2
极性表面积: 72.4 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 5
重原子: 30
形式电荷: 0
复杂度: 709

ALIASES

名称与别名

共 5 条

CHEMBL1642156SCHEMBL1591101BDBM50417575(S)-N-(5-((3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamideN-[(2S)-5-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

REACTIONS

参与反应

1 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536214B2

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