uspto-grants-2014_08 · 10.6084/m9.figshare.5104873.v1 · US08796256B2
查看![(5Z)-5-({1-[4-chloro-2-(trifluoromethyl)benzyl]-1H-indazol-5-yl}methylidene)-3-(2,3-dihydroxypropyl)-1,3-thiazolidine-2,4-dione 分子结构式](/api/mol/58530742/svg/360x280.svg)
HCID58530742
(5Z)-5-({1-[4-chloro-2-(trifluoromethyl)benzyl]-1H-indazol-5-yl}methylidene)-3-(2,3-dihydroxypropyl)-1,3-thiazolidine-2,4-dione
(5Z)-5-[[1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-3-(2,3-dihydroxypropyl)-1,3-thiazolidine-2,4-dione
C22H17ClF3N3O4S511.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- O=C1S/C(=C\c2ccc3c(cnn3Cc3ccc(Cl)cc3C(F)(F)F)c2)C(=O)N1CC(O)CO
- InChIKey
- MPSBSUUPRVOIHH-SWNXQHNESA-N
- 分子式
- C22H17ClF3N3O4S
- 平均分子量
- 511.9 g/mol
- 单同位素质量
- 511.0580394
COMPUTED
结构计算性质
- XLogP
- 3.8
- 极性表面积
- 121 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 6
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 817
ALIASES
名称与别名
(5Z)-5-({1-[4-chloro-2-(trifluoromethyl)benzyl]-1H-indazol-5-yl}methylidene)-3-(2,3-dihydroxypropyl)-1,3-thiazolidine-2,4-dioneSCHEMBL12065723
REACTIONS
参与反应