HCID67351230

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

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

C30H29ClN2O5533 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)CCc1ccc(-c2ccc(-c3onc(C)c3NC(=O)OC(C)c3ccccc3Cl)cc2)cc1
InChIKey: KXOOGXIFYDHHGS-UHFFFAOYSA-N
分子式: C30H29ClN2O5
平均分子量: 533 g/mol
单同位素质量: 532.1764997

COMPUTED

结构计算性质

已同步

XLogP: 6.6
极性表面积: 90.7 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 11
重原子: 38
形式电荷: 0
复杂度: 753

ALIASES

名称与别名

共 4 条

SCHEMBL2291261KXOOGXIFYDHHGS-UHFFFAOYSA-N3-(4'-{4-[1-(2-chloro-phenyl)-ethoxyc arb onylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-propionic acid ethyl ester3-(4'-{4-[1-(2-chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-propionic acid ethyl ester

REACTIONS

参与反应

3 条

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

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

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

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