(5-Chloro-2,4-dihydroxy-phenyl)[5-(4-methyl-piperazin-1-yl)-1,3-dihydro-isoindol-2-yl]-methanone
基本情報
- 標準SMILES
CN1CCN(c2ccc3c(c2)CN(C(=O)c2cc(Cl)c(O)cc2O)C3)CC1- InChIKey
IMCANAAIYOYWDU-UHFFFAOYSA-N- 分子式
- C20H22ClN3O3
- 平均分子量
- 387.9 g/mol
名称と識別子
- 優先名称
- (5-Chloro-2,4-dihydroxy-phenyl)[5-(4-methyl-piperazin-1-yl)-1,3-dihydro-isoindol-2-yl]-methanone
- IUPAC
- (5-chloro-2,4-dihydroxyphenyl)-[5-(4-methylpiperazin-1-yl)-1,3-dihydroisoindol-2-yl]methanone
名称と別名
SCHEMBL382693IMCANAAIYOYWDU-UHFFFAOYSA-NDB-145989(5-Chloro-2,4-dihydroxy-phenyl)-[5-(4-methyl-piperazin-1-yl)-1,3-dihydro-isoindol-2-yl]-methanone(5-Chloro-2,4-dihydroxy-phenyl)-[5-(4-methyl-piperazin-1-yl)-1.3-dihydro-isoindol-2-yl]-methanone(5-Chloro-2,4-dihydroxy-phenyl)[5-(4-methyl-piperazin-1-yl)-1,3-dihydro-isoindol-2-yl]-methanone(5-Chloro-2,4-dihydroxyphenyl)[1,3-dihydro-5-(4-methyl-1-piperazinyl)-2H-isoindol-2-yl]methanone(5-Chloro-2.4-dihydroxy-phenyl)-[5-(4-methyl-piperazin-1-yl)-1.3-dihydro-isoindol-2-yl]-methanone912999-68-9
データベース識別子
- PubChem CID
- 11955816
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 67.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 2
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 543
関連反応
18 件
化合物ノート
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