7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [2-chloro-5-(2-hydroxy-1-hydroxymethyl-1-methyl-ethylsulfamoyl)-thiophen-3-yl]-amide
基本情報
- 標準SMILES
CC(CO)(CO)NS(=O)(=O)c1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4)nc23)c(Cl)s1- InChIKey
BDDJAQVZXWWNOV-UHFFFAOYSA-N- 分子式
- C23H18ClF6N5O5S2
- 平均分子量
- 658 g/mol
名称と識別子
- 優先名称
- 7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [2-chloro-5-(2-hydroxy-1-hydroxymethyl-1-methyl-ethylsulfamoyl)-thiophen-3-yl]-amide
- IUPAC
- N-[2-chloro-5-[(1,3-dihydroxy-2-methylpropan-2-yl)sulfamoyl]thiophen-3-yl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
名称と別名
7-Trifluoromethyl-5-(4-trifluoromethyl-phenyl)-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [2-chloro-5-(2-hydroxy-1-hydroxymethyl-1-methyl-ethylsulfamoyl)-thiophen-3-yl]-amideSCHEMBL1380642
データベース識別子
- PubChem CID
- 11997607
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 183 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 15
- 回転可能結合数
- 8
- 重原子数
- 42
- 形式電荷
- 0
- 複雑度
- 1,070
関連反応
2 件
化合物ノート
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