HCID136199109

2-[3-(4-chlorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[2-(tri-fluoromethyl)benzyl]-acetamide

2-[3-(4-chlorophenyl)-5-oxo-4H-1,2,4-triazol-1-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

C18H14ClF3N4O2410.8 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(Cn1nc(-c2ccc(Cl)cc2)[nH]c1=O)NCc1ccccc1C(F)(F)F
InChIKey: NJSCXSQRHNENAF-UHFFFAOYSA-N
分子式: C18H14ClF3N4O2
平均分子量: 410.8 g/mol
单同位素质量: 410.0757379

COMPUTED

结构计算性质

等待补全

XLogP: 3.4
极性表面积: 73.8 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 5
重原子: 28
形式电荷: 0
复杂度: 620

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

2-[3-(4-chlorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[2-(tri-fluoromethyl)benzyl]-acetamideSCHEMBL45149532-[3-(4-chlorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[2-(trifluoromethyl)benzyl]-acetamide

REACTIONS

相关反应

4 条

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

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uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08084481B2

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uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08084481B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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