HCID178419068

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

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

C20H18N6OS390.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)c3ccccc3n2)cc1
InChIKey: KHDLZWDZNAKTKK-UHFFFAOYSA-N
分子式: C20H18N6OS
平均分子量: 390.5 g/mol
单同位素质量: 390.12628039

COMPUTED

结构计算性质

已同步

XLogP: 4
极性表面积: 121 Å²
氢键供体: 3
氢键受体: 6
可旋转键: 5
重原子: 28
形式电荷: 0
复杂度: 529

ALIASES

名称与别名

共 8 条

CHEMBL484950SCHEMBL2204454SCHEMBL12430555KHDLZWDZNAKTKK-UHFFFAOYSA-NBDBM50277585[2-(4-acetamidophenylsulfanyl)-quinazolin-4-yl]-(5-methyl-2H-pyrazol-3-yl)-amineN-(4-(4-(3-methyl-1H-pyrazol-5-ylamino)quinazolin-2-ylthio)phenyl)acetamideN-(4-(4-(5-methyl-1H-pyrazol-3-ylamino)quinazolin-2-ylthio)phenyl)acetamide

REACTIONS