HCID59752330

4-[(2-Methoxycarbonyl-5-phenyl-thiophen-3-yl)-(4-methyl-cyclohexanecarbonyl)-amino]-piperidine-1-carboxylic acid benzyl ester

benzyl 4-[(2-methoxycarbonyl-5-phenylthiophen-3-yl)-(4-methylcyclohexanecarbonyl)amino]piperidine-1-carboxylate

C33H38N2O5S574.7 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1CCC(C)CC1)C1CCN(C(=O)OCc2ccccc2)CC1
InChIKey: DZGJIPVFWGMHKB-UHFFFAOYSA-N
分子式: C33H38N2O5S
平均分子量: 574.7 g/mol
单同位素质量: 574.25014349

COMPUTED

结构计算性质

已同步

XLogP: 7.1
极性表面积: 104 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 9
重原子: 41
形式电荷: 0
复杂度: 873

ALIASES

名称与别名

共 4 条

SCHEMBL2428849SCHEMBL2746312DZGJIPVFWGMHKB-UHFFFAOYSA-N4-[(2-Methoxycarbonyl-5-phenyl-thiophen-3-yl)-(4-methyl-cyclohexanecarbonyl)-amino]-piperidine-1-carboxylic acid benzyl ester

REACTIONS

参与反应

4 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829030B2

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uspto-grants-2008_07 · 10.6084/m9.figshare.5104873.v1 · US07402608B2

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08357718B2

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