HCID9895791

2-[4''-(2-Benzyl-benzofuran-3-yl)-3,5-dibromo-biphenyl-4-yloxy]-hexanoic acid

2-[4-[4-(2-benzyl-1-benzofuran-3-yl)phenyl]-2,6-dibromophenoxy]hexanoic acid

C33H28Br2O4648.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCC(Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1Br)C(=O)O
InChIKey: PCKQHLYWSVLRRO-UHFFFAOYSA-N
分子式: C33H28Br2O4
平均分子量: 648.4 g/mol
单同位素质量: 646.03543

COMPUTED

结构计算性质

已同步

XLogP: 10.3
极性表面积: 59.7 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 10
重原子: 39
形式电荷: 0
复杂度: 753

ALIASES

名称与别名

共 6 条

CHEMBL26399SCHEMBL7505313PCKQHLYWSVLRRO-UHFFFAOYSA-NBDBM500869162-[4''-(2-Benzyl-benzofuran-3-yl)-3,5-dibromo-biphenyl-4-yloxy]-hexanoic acid2-[4'-(2-Benzyl-benzofuran-3-yl)-3,5-dibromo-biphenyl-4-yloxy]-hexanoic acid

REACTIONS

参与反应

3 条

uspto-grants-2002_04 · 10.6084/m9.figshare.5104873.v1 · US06369072B2

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uspto-grants-2002_05 · 10.6084/m9.figshare.5104873.v1 · US06391897B2

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uspto-grants-2001_05 · 10.6084/m9.figshare.5104873.v1 · US06232322B1

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