HCID69916865

methyl 2-(((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate

methyl 2-[[4-[2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]phenyl]methylamino]-3-nitrobenzoate

C30H26N6O5550.6 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(-c2ccccc2-c2nnnn2Cc2ccc(OC)cc2)cc1
InChIKey: UDWVMOHRRTWQAP-UHFFFAOYSA-N
分子式: C30H26N6O5
平均分子量: 550.6 g/mol
单同位素质量: 550.19646795

COMPUTED

结构计算性质

已同步

XLogP: 6.1
极性表面积: 137 Å²
氢键供体: 1
氢键受体: 9
可旋转键: 10
重原子: 41
形式电荷: 0
复杂度: 844

ALIASES

名称与别名

共 6 条

1307853-71-9methyl 2-(((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoatemethyl 2-{[(2'-{1-[(4-methoxyphenyl)methyl]-1H-1,2,3,4-tetrazol-5-yl}-[1,1'-biphenyl]-4-yl)methyl]amino}-3-nitrobenzoateSCHEMBL6850504UDWVMOHRRTWQAP-UHFFFAOYSA-Nmethyl 2-[({2'-[1-(p-methoxybenzyl)-1H-tetrazol-5-yl]biphenyl-4-yl}methyl)amino]-3-nitrobenzoate

REACTIONS

参与反应

4 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530506B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530506B2

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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