基本情報
- 標準SMILES
Cc1cc(CNC(=O)c2nc3n(c(=O)c2O)CC2(CO)CCC3(NC(=O)C(=O)N(C)C)CC2)ccc1F- InChIKey
FZZZJPSDDOESRA-UHFFFAOYSA-N- 分子式
- C25H30FN5O6
- 平均分子量
- 515.5 g/mol
名称と識別子
- 優先名称
- N'-[2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-hydroxy-7-(hydroxymethyl)-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-N,N-dimethyl-ethanediamide
- IUPAC
- N-[4-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-5-hydroxy-9-(hydroxymethyl)-6-oxo-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-dien-1-yl]-N',N'-dimethyloxamide
名称と別名
SCHEMBL9901023FZZZJPSDDOESRA-UHFFFAOYSA-NN'-[2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-hydroxy-7-(hydroxymethyl)-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-N,N-dimethyl-ethanediamideN-[(4-fluoro-3-methyl-phenyl)methylcarbamoyl-hydroxy-(hydroxymethyl)-oxo-[?]yl]-N',N'-dimethyl-oxamide
データベース識別子
- PubChem CID
- 67958482
物性
構造計算による物性
- XLogP
- 0.8
- 極性表面積
- 152 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 8
- 回転可能結合数
- 5
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 1,050
関連反応
1 件
化合物ノート
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