HCID178419061

N-(4-(4-(5-methyl-1H-pyrazol-3-ylamino)-6-phenylpyrimidin-2-ylthio)phenyl)acetamide

N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]sulfanylphenyl]acetamide

C22H20N6OS416.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccccc3)n2)cc1
InChIKey: ZUOHNZIRNKHHJE-UHFFFAOYSA-N
分子式: C22H20N6OS
平均分子量: 416.5 g/mol
单同位素质量: 416.14193046

COMPUTED

结构计算性质

已同步

XLogP: 4.3
极性表面积: 121 Å²
氢键供体: 3
氢键受体: 6
可旋转键: 6
重原子: 30
形式电荷: 0
复杂度: 552

ALIASES

名称与别名

共 7 条

CHEMBL557279SCHEMBL2205038SCHEMBL12430803ZUOHNZIRNKHHJE-UHFFFAOYSA-NBDBM50293693[2-(4-acetamido-phenylsulfanyl)-6-phenyl-pyrimidin-4-yl]-(5-methyl-2H-pyrazol-3-yl)-amineN-(4-(4-(5-methyl-1H-pyrazol-3-ylamino)-6-phenylpyrimidin-2-ylthio)phenyl)acetamide

REACTIONS