HCID46239908

4'-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-2-carboxylic acid

2-[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]benzoic acid

C26H21ClN2O5476.9 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1noc(-c2ccc(-c3ccccc3C(=O)O)cc2)c1NC(=O)OC(C)c1ccccc1Cl
InChIKey: BYCQTFBZUUATPR-UHFFFAOYSA-N
分子式: C26H21ClN2O5
平均分子量: 476.9 g/mol
单同位素质量: 476.1138995

COMPUTED

结构计算性质

等待补全

XLogP: 5.7
极性表面积: 102 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 7
重原子: 34
形式电荷: 0
复杂度: 701

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 4 条

SCHEMBL2292238BYCQTFBZUUATPR-UHFFFAOYSA-N4'-{-4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-2-carboxylic acid4'-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-2-carboxylic acid

REACTIONS

参与反应

3 条

uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08048902B2

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

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uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08440707B2

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