HCID11851815

5-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-N-(2-hydroxy-1,1-dimethyl-ethyl)-2-methoxy-benzenesulfonamide

5-[2-[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzenesulfonamide

C27H23F5N4O4S594.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(C#Cc2cnn3c(C(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)cc1S(=O)(=O)NC(C)(C)CO
InChIKey: FUVPCOLFQPIBHS-UHFFFAOYSA-N
分子式: C27H23F5N4O4S
平均分子量: 594.6 g/mol
单同位素质量: 594.13601721

COMPUTED

结构计算性质

等待补全

XLogP: 4.4
极性表面积: 114 Å²
氢键供体: 2
氢键受体: 12
可旋转键: 9
重原子: 41
形式电荷: 0
复杂度: 1,070

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

5-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidin-3-ylethynyl]-N-(2-hydroxy-1,1-dimethyl-ethyl)-2-methoxy-benzenesulfonamideSCHEMBL13480705-[7-Difluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-alpha]pyrimidin-3-ylethynyl]-N-(2-hydroxy-1,1-dimethyl-ethyl)-2-methoxy-benzenesulfonamide

REACTIONS