4-(2-Cyano-5-(3-pyridylmethoxy)phenoxy)-4-(2-methylphenyl)butanoic acid

HCID 22010149

基本情報

標準SMILES: Cc1ccccc1C(CCC(=O)O)Oc1cc(OCc2cccnc2)ccc1C#N
InChIKey: PSXQURRBXDSABO-UHFFFAOYSA-N
分子式: C24H22N2O4
平均分子量: 402.4 g/mol
単同位体質量: 402.15795719

名称と識別子

優先名称: 4-(2-Cyano-5-(3-pyridylmethoxy)phenoxy)-4-(2-methylphenyl)butanoic acid
IUPAC: 4-[2-cyano-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid

名称と別名

4-[2-cyano-5-(3-pyridylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid4-(2-Cyano-5-(3-pyridylmethoxy)phenoxy)-4-(2-methylphenyl)butanoic acidRefChem:9120774-CNPyrMeO-PhOMePhe4COOHSCHEMBL7907758PSXQURRBXDSABO-UHFFFAOYSA-NL0143274-[2-cyano-5-(3-pyridylmethoxy)-phenoxy]-4-(2-methylphenyl)butanoic acid4-[2-cyano-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid

データベース識別子

PubChem CID: 22010149

物性

構造計算による物性

XLogP: 3.8
極性表面積: 92.4 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: 9
重原子数: 30
形式電荷: 0
複雑度: 589

化学と産業

薬理情報

MeSH Pharmacological ClassificationCompounds and drugs that bind to and inhibit or block the activation of ENDOTHELIN RECECPTORS.