HCID21294337

2,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-4-methyl-3,5-dioxo-1,2,4-triazin-2(3H)-yl) benzeneacetonitrile

2-(4-chlorophenyl)-2-[2,6-dichloro-4-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile

C18H11Cl3N4O2421.7 g/mol

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IDENTITY

结构与身份

标准 SMILES: Cn1c(=O)cnn(-c2cc(Cl)c(C(C#N)c3ccc(Cl)cc3)c(Cl)c2)c1=O
InChIKey: JAUVZZPGWAPQDS-UHFFFAOYSA-N
分子式: C18H11Cl3N4O2
平均分子量: 421.7 g/mol
单同位素质量: 419.994759

COMPUTED

结构计算性质

已同步

XLogP: 4.2
极性表面积: 76.8 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 3
重原子: 27
形式电荷: 0
复杂度: 659

ALIASES

名称与别名

共 4 条

SCHEMBL10395312JAUVZZPGWAPQDS-UHFFFAOYSA-N2,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-4-methyl-3,5-dioxo-1,2,4-triazin-2(3H)-yl) benzeneacetonitrile2,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-4-methyl-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetonitrile

REACTIONS