HCID21933550

[2-{2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]acetic acid

2-[2-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenoxy]phenoxy]acetic acid

C20H13ClF4N2O6488.8 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3ccccc3OCC(=O)O)c(Cl)cc2F)c1=O
InChIKey: ZVPFIPVGFORUDU-UHFFFAOYSA-N
分子式: C20H13ClF4N2O6
平均分子量: 488.8 g/mol
单同位素质量: 488.0398265

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 96.4 Å²
氢键供体: 1
氢键受体: 10
可旋转键: 6
重原子: 33
形式电荷: 0
复杂度: 810

ALIASES

名称与别名

共 5 条

SCHEMBL3245244SCHEMBL29452779ZVPFIPVGFORUDU-UHFFFAOYSA-N[2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrah ydropyrimidin-1-yl]phenoxy}phenoxy]acetic acid[2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]acetic acid

REACTIONS