3-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-methyl-2-(4-tert-butylphenoxy)-propionic acid

HCID 10232157

基本情報

標準SMILES: Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc(CC(C)(Oc2ccc(C(C)(C)C)cc2)C(=O)O)cc1
InChIKey: LWFGKMLICQWLKL-UHFFFAOYSA-N
分子式: C38H39NO5
平均分子量: 589.7 g/mol

名称と識別子

優先名称: 3-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-methyl-2-(4-tert-butylphenoxy)-propionic acid
IUPAC: 2-(4-tert-butylphenoxy)-2-methyl-3-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid

名称と別名

CHEMBL362759SCHEMBL5205041LWFGKMLICQWLKL-UHFFFAOYSA-NBDBM501565263-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-(4-tert-butyl-phenoxy)-2-methyl-propionic acid3-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-methyl-2-(4-tert-butylphenoxy)-propionic acid

データベース識別子

PubChem CID: 10232157
ChEMBL: CHEMBL362759

物性

構造計算による物性

XLogP: 9.4
極性表面積: 81.8 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 12
重原子数: 44
形式電荷: 0
複雑度: 874