HCID19912232

ethyl 4-[2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenoxy]phenylcarboxylate

ethyl 4-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenoxy]benzoate

C19H15ClF3N3O4441.8 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: CCOC(=O)c1ccc(Oc2cc(-n3nc(C)n(C(F)F)c3=O)c(F)cc2Cl)cc1
InChIKey: CEOKGKBWXJBWMX-UHFFFAOYSA-N
分子式: C19H15ClF3N3O4
平均分子量: 441.8 g/mol
单同位素质量: 441.0703181

COMPUTED

结构计算性质

等待补全

XLogP: 4.5
极性表面积: 71.4 Å²
氢键供体: 0
氢键受体: 8
可旋转键: 7
重原子: 30
形式电荷: 0
复杂度: 675

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

SCHEMBL9631583ethyl 4-[2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro -3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenoxy]phenylcarboxylateethyl 4-[2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenoxy]phenylcarboxylate

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

uspto-grants-1992_01 · 10.6084/m9.figshare.5104873.v1 · US05084085

查看