6-chloro-4'-[5-chloro-2-(1-hydroxycarbonyl-cyclobutoxy)-phenyl]-2'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione

HCID 76568153

基本情報

標準SMILES
Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC2(C(=O)O)CCC2)C12C(=O)Nc1cc(Cl)ccc12
InChIKey
FHFDQZKWWFBFLQ-UHFFFAOYSA-N
分子式
C30H25Cl2FN2O5
平均分子量
583.4 g/mol

名称と識別子

優先名称
6-chloro-4'-[5-chloro-2-(1-hydroxycarbonyl-cyclobutoxy)-phenyl]-2'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
IUPAC
1-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]cyclobutane-1-carboxylic acid

名称と別名

FHFDQZKWWFBFLQ-UHFFFAOYSA-N6-chloro-4'-[5-chloro-2-(1-hydroxycarbonyl-cyclobutoxy)-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-hydroxycarbonyl-cyclobutoxy)-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
76568153

物性

構造計算による物性

XLogP
4.9
極性表面積
105 Ų
水素結合供与体数
3
水素結合受容体数
6
回転可能結合数
5
重原子数
40

関連反応

5 件

化合物ノート

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