4-chloro-2-fluoro-5-[4-(3-fluorophenyl)-4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]-N-methyl-benzenesulfonamide (HCID 10349731)

基本情報

標準SMILES: CNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3[C@@H]4CC[C@H]3CC(n3c(C)nc5ccccc53)C4)(c3cccc(F)c3)CC2)c(Cl)cc1F
InChIKey: AWXQYTLSBPWDMJ-FITHBNAOSA-N
分子式: C36H40ClF2N5O3S
平均分子量: 696.2 g/mol

名称と識別子

優先名称: 4-chloro-2-fluoro-5-[4-(3-fluorophenyl)-4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]-N-methyl-benzenesulfonamide
IUPAC: 4-chloro-2-fluoro-5-[4-(3-fluorophenyl)-4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]-N-methylbenzenesulfonamide

名称と別名

716354-04-04-Chloro-2-fluoro-5-(4-(3-fluorophenyl)-4-(2-((1R,3r,5S)-3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)piperidine-1-carbonyl)-N-methylbenzenesulfonamidestarbld0032143orb2814363SCHEMBL3525934SCHEMBL13544091AWXQYTLSBPWDMJ-FITHBNAOSA-N4-chloro-2-fluoro-5-[4-(3-fluorophenyl)-4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]-N-methyl-benzenesulfonamideHY-12944T2033634-chloro-2-fluoro-5-[(4-(3-fluorophenyl)-4-{2-[(1R,5S)-3-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]ethyl}piperidin-1-yl)carbonyl]-N-methylbenzenesulfonamide

データベース識別子

PubChem CID: 10349731

物性

構造計算による物性

XLogP: 6.5
極性表面積: 95.9 Å²
水素結合供与体数: 1
水素結合受容体数: 8
回転可能結合数: 8
重原子数: 48
形式電荷: 0
複雑度: 1,240

化合物ノート

読み込み中…