HIT ID: HIT212659660
Cas No: T8746L;2929435-27-6
分子式: C23H26ClF3N4O2
分子量: 482.93
常用名: I-49 free base
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 2.1379979
IUPAC: 2-methyl-4-{[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino}-6-(oxan-4-yl)-6H,7H-pyrido[4,3-d]pyrimidin-7-one hydrochloride
IUPAC: 2-methyl-4-{[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino}-6-(oxan-4-yl)-6H,7H-pyrido[4,3-d]pyrimidin-7-one hydrochloride
SMILES: Cl.C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1CCOCC1)c1cccc(c1C)C(F)(F)F
SMILES: Cl.C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1CCOCC1)c1cccc(c1C)C(F)(F)F
InChI key: IMTZSCITDWGIMI-PFEQFJNWSA-N
