HCID9944737

4-Chloro-6-((2,6-difluorophenyl)amino)-2-(methylthio)pyrimidine-5-carbaldehyde

4-chloro-6-(2,6-difluoroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde

C12H8ClF2N3OS315.73 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CSc1nc(Cl)c(C=O)c(Nc2c(F)cccc2F)n1
InChIKey: ISFYYZGFGBMCMW-UHFFFAOYSA-N
分子式: C12H8ClF2N3OS
平均分子量: 315.73 g/mol
单同位素质量: 315.0044671

COMPUTED

结构计算性质

已同步

XLogP: 4.1
极性表面积: 80.2 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 4
重原子: 20
形式电荷: 0
复杂度: 332

ALIASES

名称与别名

共 6 条

4-Chloro-6-((2,6-difluorophenyl)amino)-2-(methylthio)pyrimidine-5-carbaldehyde444605-13-4SCHEMBL1060749ISFYYZGFGBMCMW-UHFFFAOYSA-N4-chloro-6-(2,6-difluoro-phenylamino)-2-methylsulfanyl-pyrimidine-5-carbaldehyde4-chloro-6-[(2,6-difluorophenyl)amino]-2-(methylthio)-5-pyrimidinecarbaldehyde

REACTIONS