HIT ID: HIT212672516
Cas No: 887375-26-0
分子式: C25H26F4N2O2
分子量: 462.489
常用名: Mapracorat
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 5.053267
IUPAC: (2R)-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)pentan-2-ol
IUPAC: (2R)-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-1-[(2-methylquinolin-5-yl)amino]-2-(trifluoromethyl)pentan-2-ol
SMILES: Cc1ccc2c(NC[C@](O)(CC(C)(C)c3cc(F)cc4CCOc34)C(F)(F)F)cccc2n1
SMILES: Cc1ccc2c(NC[C@](O)(CC(C)(C)c3cc(F)cc4CCOc34)C(F)(F)F)cccc2n1
InChI key: VJGFOYBQOIPQFY-XMMPIXPASA-N
