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-(2,2,2-trifluoroethyl)benzenesulfonamide (HCID 53260890)

基本情報

標準SMILES: Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NCC(F)(F)F)c(F)cc2Cl)CC1
InChIKey: SRYDTZDBAKUSQN-FITHBNAOSA-N
分子式: C37H39ClF5N5O3S
平均分子量: 764.2 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-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)benzenesulfonamide

名称と別名

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-(2,2,2-trifluoroethyl)benzenesulfonamideSCHEMBL3527252SCHEMBL13544084SRYDTZDBAKUSQN-KUMHGWDASA-N4-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-(2,2,2-trifluoroethyl)benzenesulfonamide

データベース識別子

PubChem CID: 53260890

物性

構造計算による物性

XLogP: 7.6
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: 11
回転可能結合数: 9
重原子数: 52
形式電荷: 0
複雑度: 1,350

化合物ノート

読み込み中…