HCID78322379

3-(4-((6-Hydroxy-2-(4-hydroxyphenyl)-benzo[b]thiophen-3-yl)oxy)phenyl)propanoic acid

3-[4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]oxy]phenyl]propanoic acid

C23H18O5S406.5 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)CCc1ccc(Oc2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1
InChIKey: NBMKTCICIYWVMJ-UHFFFAOYSA-N
分子式: C23H18O5S
平均分子量: 406.5 g/mol
单同位素质量: 406.08749484

COMPUTED

结构计算性质

已同步

XLogP: 5.2
极性表面积: 115 Å²
氢键供体: 3
氢键受体: 6
可旋转键: 6
重原子: 29
形式电荷: 0
复杂度: 541

ALIASES

名称与别名

共 8 条

CHEMBL4092625SCHEMBL15953703NBMKTCICIYWVMJ-UHFFFAOYSA-NBDBM268606DB-099661US10058534, 13-(4-((6-hydroxy-2-(4-hydroxyphenyl)-benzo[b]thiophen-3-yl)oxy)phenyl)propanoic acid1622307-13-4

REACTIONS

参与反应

2 条

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08877801B2

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uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09321746B2

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