Racemic (2'S,3S,4'R)-6-chloro-4'-[5-chloro-2-(3-methyl-oxetan-3-ylmethoxy)-phenyl]-2'-(5-fluoro-2-methyl-phenyl)-spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione (HCID 74928827)

基本情報

標準SMILES: Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OCC2(C)COC2)C12C(=O)Nc1cc(Cl)ccc12
InChIKey: FBAWDRAVPUKQNZ-UHFFFAOYSA-N
分子式: C30H27Cl2FN2O4
平均分子量: 569.4 g/mol

名称と識別子

優先名称: Racemic (2'S,3S,4'R)-6-chloro-4'-[5-chloro-2-(3-methyl-oxetan-3-ylmethoxy)-phenyl]-2'-(5-fluoro-2-methyl-phenyl)-spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
IUPAC: 6-chloro-4'-[5-chloro-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-6'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

名称と別名

FBAWDRAVPUKQNZ-UHFFFAOYSA-Nracemic (2'S,3S,4'R)-6-chloro-4'-[5-chloro-2-(3-methyl-oxetan-3-ylmethoxy)-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-(3-methyl-oxetan-3-ylmethoxy)-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: 74928827

物性

構造計算による物性

XLogP: 4.9
極性表面積: 76.7 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 5
重原子数: 39
形式電荷: 0
複雑度: 952

化合物ノート

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