HCID21463674

5-[3-chloro-4-(5-trifluoromethylpyridine-2-yloxy)phenyl]-3-(2,6-difluorophenyl)-1-methyl-1H-1,2,4-triazole

2-[2-chloro-4-[5-(2,6-difluorophenyl)-2-methyl-1,2,4-triazol-3-yl]phenoxy]-5-(trifluoromethyl)pyridine

C21H12ClF5N4O466.8 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1nc(-c2c(F)cccc2F)nc1-c1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1
InChIKey: XCSRFCNHTCVAKB-UHFFFAOYSA-N
分子式: C21H12ClF5N4O
平均分子量: 466.8 g/mol
单同位素质量: 466.0619795

COMPUTED

结构计算性质

等待补全

XLogP: 5.8
极性表面积: 52.8 Å²
氢键供体: 0
氢键受体: 9
可旋转键: 4
重原子: 32
形式电荷: 0
复杂度: 621

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

5-[3-chloro-4-(5-trifluoromethylpyridine-2-yloxy)phenyl]-3-(2,6-difluorophenyl)-1-methyl-1H-1,2,4-triazoleSCHEMBL82988995-[3-chloro-4-(5-trifluoromethylpyridine-2-yloxy)phenyl]-3(2,6-difluorophenyl)-1-methyl-1H-1,2,4-triazole

REACTIONS

参与反应

2 条

uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05616594

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uspto-grants-1997_12 · 10.6084/m9.figshare.5104873.v1 · US05700824

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