HCID57799355

3-((7-(4-chlorophenyl)-3-oxo-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)methyl)-2-methyl-6-(trifluoromethyl)pyridine 1-oxide

7-(4-chlorophenyl)-2-[[2-methyl-1-oxido-6-(trifluoromethyl)pyridin-1-ium-3-yl]methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one

C25H17ClF3N5O2511.9 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: Cc1c(Cn2nc3c(-c4ccncc4)c(-c4ccc(Cl)cc4)ccn3c2=O)ccc(C(F)(F)F)[n+]1[O-]
InChIKey: BJKNLOOBSLXMOS-UHFFFAOYSA-N
分子式: C25H17ClF3N5O2
平均分子量: 511.9 g/mol
单同位素质量: 511.102287

COMPUTED

结构计算性质

已同步

XLogP: 3.3
极性表面积: 74.3 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 4
重原子: 36
形式电荷: 0
复杂度: 940

ALIASES

名称与别名

共 2 条

3-((7-(4-chlorophenyl)-3-oxo-8-(pyridin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)methyl)-2-methyl-6-(trifluoromethyl)pyridine 1-oxideSCHEMBL4480726

REACTIONS