基本情報
- 標準SMILES
COC(=O)C(C)(C)COc1ccc(Cl)cc1C1CC(=O)NC(c2cc(F)ccc2C)C12C(=O)Nc1cc(Cl)ccc12- InChIKey
WFSRUJGPWXWQTJ-UHFFFAOYSA-N- 分子式
- C31H29Cl2FN2O5
- 平均分子量
- 599.5 g/mol
名称と識別子
- 優先名称
- 6-chloro-4'-[5-chloro-2-(2-methoxycarbonyl-2-methyl-propoxy)-phenyl]-2'-(5-fluoro-2-methylphenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
- IUPAC
- methyl 3-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-2,2-dimethylpropanoate
名称と別名
WFSRUJGPWXWQTJ-UHFFFAOYSA-N6-chloro-4'-[5-chloro-2-(2-methoxycarbonyl-2-methyl-propoxy)-phenyl]-2'-(5-fluoro-2-methylphenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dioneracemic (2'R,3R,4'S)-6-chloro-4'-[5-chloro-2-(2-methoxycarbonyl-2-methyl-propoxy)-phenyl]-2'-(5-fluoro-2-methylphenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dioneracemic (2'S,3S,4'R)-6-chloro-4'-[5-chloro-2-(2-methoxycarbonyl-2-methyl-propoxy)-phenyl]-2'-(5-fluoro-2-methylphenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
データベース識別子
- PubChem CID
- 76568066
物性
構造計算による物性
- XLogP
- 5.4
- 極性表面積
- 93.7 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 6
- 回転可能結合数
- 7
- 重原子数
- 41
- 形式電荷
- 0
- 複雑度
- 1,010
関連反応
4 件
化合物ノート
読み込み中…