HIT ID: HIT212657862
Cas No: 552292-08-7;5552292-08-7
分子式: C25H26F6N2O2
分子量: 500.485
常用名: Rolapitant
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 5.003099
IUPAC: (5S,8S)-8-{[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl}-8-phenyl-1,7-diazaspiro[4.5]decan-2-one
IUPAC: (5S,8S)-8-{[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl}-8-phenyl-1,7-diazaspiro[4.5]decan-2-one
SMILES: C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
SMILES: C[C@@H](OC[C@]1(CC[C@]2(CCC(=O)N2)CN1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI key: FIVSJYGQAIEMOC-ZGNKEGEESA-N
