4'-[2-(1-tert-butoxycarbonyl-piperidin-4-yloxy)-5-chloro-phenyl]-6-chloro-2'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione (HCID 74928507)

基本情報

標準SMILES: Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC2CCN(C(=O)OC(C)(C)C)CC2)C12C(=O)Nc1cc(Cl)ccc12
InChIKey: AWLMOLFODVVNDM-UHFFFAOYSA-N
分子式: C35H36Cl2FN3O5
平均分子量: 668.6 g/mol

名称と識別子

優先名称: 4'-[2-(1-tert-butoxycarbonyl-piperidin-4-yloxy)-5-chloro-phenyl]-6-chloro-2'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dione
IUPAC: tert-butyl 4-[4-chloro-2-[6-chloro-2'-(5-fluoro-2-methylphenyl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-4'-yl]phenoxy]piperidine-1-carboxylate

名称と別名

AWLMOLFODVVNDM-UHFFFAOYSA-N4'-[2-(1-tert-butoxycarbonyl-piperidin-4-yloxy)-5-chloro-phenyl]-6-chloro-2'-(5-fluoro-2-methyl-phenyl)spiro[3H-indole-3,3'-piperidine]-2,6'(1H)-dioneRacemic (2'S,3S,4'R)-4'-[2-(1-tert-butoxycarbonyl-piperidin-4-yloxy)-5-chloro-phenyl]-6-chloro-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: 74928507

物性

構造計算による物性

XLogP: 6.1
極性表面積: 97 Å²
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: 6
重原子数: 46
形式電荷: 0
複雑度: 1,150

化合物ノート

読み込み中…