HCID3742676

1-(4-Methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine

C16H18N4O3314.34 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1
InChIKey: ZDKHDBPCLRHWGS-UHFFFAOYSA-N
分子式: C16H18N4O3
平均分子量: 314.34 g/mol
单同位素质量: 314.13789045

COMPUTED

结构计算性质

已同步

XLogP: 2.7
极性表面积: 74.4 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 3
重原子: 23
形式电荷: 0
复杂度: 387

ALIASES

名称与别名

共 5 条

SCHEMBL8931637ZDKHDBPCLRHWGS-UHFFFAOYSA-NAKOS0171279141-(4-methoxyphenyl)-4-(5-nitro-2-pyridinyl)piperazine2-(4-[4-Methoxyphenyl]piperazin-1-yl)-5-nitropyridine

REACTIONS

参与反应

6 条

uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05650411

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-1991_06 · 10.6084/m9.figshare.5104873.v1 · US05023258

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uspto-grants-1991_06 · 10.6084/m9.figshare.5104873.v1 · US05023258

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