基本情報
- 標準SMILES
Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC(C)(C)CO)C12C(=O)Nc1cc(Cl)ccc12- InChIKey
SEZFHYDPPDQVNK-UHFFFAOYSA-N- 分子式
- C29H27Cl2FN2O4
- 平均分子量
- 557.4 g/mol
名称と識別子
- 優先名称
- 6-chloro-4'-[5-chloro-2-(2-hydroxy-1,1-dimethyl-ethoxy)phenyl]-2'-[5-fluoro-2-methylphenyl]spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
- IUPAC
- 6-chloro-4'-[5-chloro-2-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
名称と別名
SEZFHYDPPDQVNK-UHFFFAOYSA-N6-chloro-4'-[5-chloro-2-(2-hydroxy-1,1-dimethyl-ethoxy)-phenyl]-2'-[5-fluoro-2-methylphenyl]-spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione6-chloro-4'-[5-chloro-2-(2-hydroxy-1,1-dimethyl-ethoxy)-phenyl]-2'-[5-fluoro-2-methylphenyl]spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione6-chloro-4'-[5-chloro-2-(2-hydroxy-1,1-dimethyl-ethoxy)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-hydroxy-1,1-dimethyl-ethoxy)-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-hydroxy-1,1-dimethyl-ethoxy)-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-hydroxy-1,1-dimethyl-ethoxy)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
- 76567885
物性
構造計算による物性
- XLogP
- 4.6
- 極性表面積
- 87.7 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
- 5
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 908
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