HCID178480691

n-{5-[n'-(4-Chlorophenyl)-n'-methylhydrazinocarbonyl]-1h-thieno[2,3-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide

N-[5-[(4-chloro-N-methylanilino)carbamoyl]-2H-thieno[2,3-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

C25H26ClN7O2S524 g/mol

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IDENTITY

结构与身份

标准SMILES: CN1CCN(c2ccc(C(=O)Nc3n[nH]c4sc(C(=O)NN(C)c5ccc(Cl)cc5)cc34)cc2)CC1
InChIKey: GVFIZDWJDAFQRO-UHFFFAOYSA-N
分子式: C25H26ClN7O2S
平均分子量: 524 g/mol
单同位素质量: 523.155722

COMPUTED

结构计算性质

已同步

XLogP: 4.9
极性表面积: 125 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 6
重原子: 36
形式电荷: 0
复杂度: 770

ALIASES

名称与别名

共 4 条

SCHEMBL3816307SCHEMBL3819550GVFIZDWJDAFQRO-UHFFFAOYSA-Nn-{5-[n'-(4-chlorophenyl)-n'-methylhydrazinocarbonyl]-1h-thieno[2,3-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide

REACTIONS

参与反应

1 条

uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595320B2

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