HCID18365902
2-{{2-Chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-phenyl}imino}-alpha-methyl-4-oxo-3-thiazolidineacetic acid
2-[2-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]imino-4-oxo-1,3-thiazolidin-3-yl]propanoic acid
C18H13ClF4N4O5S508.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C(=O)O)N1C(=O)CSC1=Nc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl
- InChIKey
- UHGBRXGQLVYEAN-UHFFFAOYSA-N
- 分子式
- C18H13ClF4N4O5S
- 平均分子量
- 508.8 g/mol
- 单同位素质量
- 508.023131
COMPUTED
结构计算性质
- XLogP
- 2.7
- 极性表面积
- 136 Ų
- 氢键供体
- 1
- 氢键受体
- 11
- 可旋转键
- 4
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 945
ALIASES
名称与别名
2-{{2-Chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-phenyl}imino}-alpha-methyl-4-oxo-3-thiazolidineacetic acidSCHEMBL7686124SCHEMBL7686126UHGBRXGQLVYEAN-LFVJCYFKSA-N2-{{2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorophenyl}imino}-alpha-methyl-4-oxo-3-thiazolidineacetic acid
REACTIONS
参与反应
当前筛选下没有反应记录。