HCID60204488

3-{4-(5-Chlorothiophen-2-yl)-2-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl}-N-methylbenzamide

3-[4-(5-chlorothiophen-2-yl)-2-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]-N-methylbenzamide

C23H23ClN6O3S499 g/mol

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IDENTITY

结构与身份

标准SMILES: CNC(=O)c1cccc(-c2cnc(NCCN3C(=O)NC(=O)C3(C)C)nc2-c2ccc(Cl)s2)c1
InChIKey: KZEBMHHVKBVODY-UHFFFAOYSA-N
分子式: C23H23ClN6O3S
平均分子量: 499 g/mol
单同位素质量: 498.1240875

COMPUTED

结构计算性质

已同步

XLogP: 3.3
极性表面积: 145 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 7
重原子: 34
形式电荷: 0
复杂度: 786

ALIASES

名称与别名

共 3 条

SCHEMBL2988796KZEBMHHVKBVODY-UHFFFAOYSA-N3-{4-(5-Chlorothiophen-2-yl)-2-[2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl}-N-methylbenzamide

REACTIONS

参与反应

2 条

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07786132B2

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uspto-grants-2010_12 · 10.6084/m9.figshare.5104873.v1 · US07858785B2

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