6-chloro-4'-[5-chloro-2-(1-cyclobutylcarbamoyl-1-methyl-ethoxy)-phenyl]-2'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
基本情報
- 標準SMILES
Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC(C)(C)C(=O)NC2CCC2)C12C(=O)Nc1cc(Cl)ccc12- InChIKey
JAAAXBRRXJPHMU-UHFFFAOYSA-N- 分子式
- C33H32Cl2FN3O4
- 平均分子量
- 624.5 g/mol
名称と識別子
- 優先名称
- 6-chloro-4'-[5-chloro-2-(1-cyclobutylcarbamoyl-1-methyl-ethoxy)-phenyl]-2'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
- IUPAC
- 2-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]-N-cyclobutyl-2-methylpropanamide
名称と別名
JAAAXBRRXJPHMU-UHFFFAOYSA-N6-chloro-4'-[5-chloro-2-(1-cyclobutylcarbamoyl-1-methyl-ethoxy)-phenyl]-2'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dioneRacemic (2'S,3S,4'R)-6-chloro-4'-[5-chloro-2-(1-cyclobutylcarbamoyl-1-methyl-ethoxy)-phenyl]-2'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
データベース識別子
- PubChem CID
- 74928684
物性
構造計算による物性
- XLogP
- 5.5
- 極性表面積
- 96.5 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
- 6
- 重原子数
- 43
- 形式電荷
- 0
- 複雑度
- 1,090
関連反応
1 件
化合物ノート
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