HCID66579685

1-{4'-[4-(5-Benzyl-[1,3,4]oxadiazol-2-ylmethyl)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester

ethyl 1-[4-[4-[4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate

C32H29N3O4519.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4Cc4nnc(Cc5ccccc5)o4)cc3)cc2)CC1
InChIKey: IBYAQTZVRZADPK-UHFFFAOYSA-N
分子式: C32H29N3O4
平均分子量: 519.6 g/mol
单同位素质量: 519.21580641

COMPUTED

结构计算性质

已同步

XLogP: 6.3
极性表面积: 91.3 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 10
重原子: 39
形式电荷: 0
复杂度: 799

ALIASES

名称与别名

共 3 条

SCHEMBL10534IBYAQTZVRZADPK-UHFFFAOYSA-N1-{4'-[4-(5-Benzyl-[1,3,4]oxadiazol-2-ylmethyl)-3-methyl-isoxazol-5-yl]-biphenyl-4-yl}-cyclopropanecarboxylic acid ethyl ester

REACTIONS

参与反应

2 条

uspto-grants-2014_03 · 10.6084/m9.figshare.5104873.v1 · US08664220B2

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uspto-grants-2014_07 · 10.6084/m9.figshare.5104873.v1 · US08778983B2

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