HCID21979560

Benzylsulfamic acid [6-[2-(5-methylsulfanyl-pyrimidin-2-yloxy)ethoxy]-5-(2-chloro-5-methoxy-phenoxy)pyrimidin-4-yl]-amide

N-(benzylsulfamoyl)-5-(2-chloro-5-methoxyphenoxy)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-amine

C25H25ClN6O6S2605.1 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(Cl)c(Oc2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCOc2ncc(SC)cn2)c1
InChIKey: QMTOMKJVCOMOHD-UHFFFAOYSA-N
分子式: C25H25ClN6O6S2
平均分子量: 605.1 g/mol
单同位素质量: 604.0965526

COMPUTED

结构计算性质

已同步

XLogP: 3.9
极性表面积: 180 Å²
氢键供体: 2
氢键受体: 13
可旋转键: 14
重原子: 40
形式电荷: 0
复杂度: 831

ALIASES

名称与别名

共 4 条

SCHEMBL5632681QMTOMKJVCOMOHD-UHFFFAOYSA-NBenzylsulfamic acid [6-[2-(5-methylsulfanyl-pyrimidin-2-yloxy)-ethoxy]-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-yl]-amideBenzylsulfamic acid [6-[2-(5-methylsulfanyl-pyrimidin-2-yloxy)ethoxy]-5-(2-chloro-5-methoxy-phenoxy)pyrimidin-4-yl]-amide

REACTIONS