HCID10369575

N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(5-methylpyrazine-2-ylmethyl)-amino]-methyl}-benzamide

N-[4-[(dipropylamino)methyl]phenyl]-4-[[1H-imidazol-2-ylmethyl-[(5-methylpyrazin-2-yl)methyl]amino]methyl]benzamide

C31H39N7O525.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCN(CCC)Cc1ccc(NC(=O)c2ccc(CN(Cc3cnc(C)cn3)Cc3ncc[nH]3)cc2)cc1
InChIKey: RKOKVWAIQIFLPB-UHFFFAOYSA-N
分子式: C31H39N7O
平均分子量: 525.7 g/mol
单同位素质量: 525.32160889

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 90 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 14
重原子: 39
形式电荷: 0
复杂度: 686

ALIASES

名称与别名

共 3 条

SCHEMBL1205920RKOKVWAIQIFLPB-UHFFFAOYSA-NN-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(5-methylpyrazine-2-ylmethyl)-amino]-methyl}-benzamide

REACTIONS

参与反应

2 条

uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07176227B2

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uspto-grants-2010_11 · 10.6084/m9.figshare.5104873.v1 · US07833991B2

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