2-(3,9-dimethyl-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)-N-(4-fluorophenyl)acetamide (HCID 59368423)

基本情報

標準SMILES: Cc1ccc2c(c1)c1c(n2CC(=O)Nc2ccc(F)cc2)CCN(C)CC1
InChIKey: HFYYJPGOVHXQDP-UHFFFAOYSA-N
分子式: C22H24FN3O
平均分子量: 365.4 g/mol

名称と識別子

優先名称: 2-(3,9-dimethyl-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)-N-(4-fluorophenyl)acetamide
IUPAC: 2-(3,9-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-N-(4-fluorophenyl)acetamide

名称と別名

SCHEMBL3235293HFYYJPGOVHXQDP-UHFFFAOYSA-N2-(3,9-dimethyl-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)-N-(4-fluorophenyl) acetamide2-(3,9-dimethyl-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)-N-(4-fluorophenyl)acetamide

データベース識別子

PubChem CID: 59368423

物性

構造計算による物性

XLogP: 3.8
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 27
形式電荷: 0
複雑度: 522

化合物ノート

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