(2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(4-hydroxy-methyl-piperidin-4-yl)-1,3-dihydro-isoindol-2-yl]-methanone
基本情報
- 標準SMILES
CC(C)c1cc(C(=O)N2Cc3ccc(C4(O)CCN(C)CC4)cc3C2)c(O)cc1O- InChIKey
JVQQVJXMYAIHFT-UHFFFAOYSA-N- 分子式
- C24H30N2O4
- 平均分子量
- 410.5 g/mol
名称と識別子
- 優先名称
- (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(4-hydroxy-methyl-piperidin-4-yl)-1,3-dihydro-isoindol-2-yl]-methanone
- IUPAC
- (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-hydroxy-1-methylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone
名称と別名
SCHEMBL382767CHEMBL1214746JVQQVJXMYAIHFT-UHFFFAOYSA-NDB-130786(2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(4-hydroxy-1-methyl-piperidin-4-yl)-1,3-dihydro-isoindol-2-yl]-methanone(2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(4-hydroxy-methyl-piperidin-4-yl)-1,3-dihydro-isoindol-2-yl]-methanone(2,4-Dihydroxy-5-isopropylphenyl)[5-(4-hydroxy-1-methylpiperidin-4-yl)-1,3-dihydroisoindol-2-yl]methanone912999-44-1
データベース識別子
- PubChem CID
- 11955673
- ChEMBL
CHEMBL1214746
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 84.2 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 5
- 回転可能結合数
- 3
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 618
関連反応
8 件
化合物ノート
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