HCID67352582

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

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

C27H23ClN2O5490.9 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccccc1-c1ccc(-c2onc(C)c2NC(=O)OC(C)c2ccccc2Cl)cc1
InChIKey: NDRIMRILITZPBZ-UHFFFAOYSA-N
分子式: C27H23ClN2O5
平均分子量: 490.9 g/mol
单同位素质量: 490.1295495

COMPUTED

结构计算性质

已同步

XLogP: 6
极性表面积: 90.7 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 8
重原子: 35
形式电荷: 0
复杂度: 716

ALIASES

名称与别名

共 3 条

SCHEMBL2294604NDRIMRILITZPBZ-UHFFFAOYSA-N4'-{4-[1-(2-chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-2-carboxylic acid methyl ester

REACTIONS

参与反应

6 条

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

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

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