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

HCID 76568066

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

関連反応

4 件

化合物ノート

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