HIT ID: HIT214982985
Cas No: 579475-17-5
分子式: C31H35F7N4O2
分子量: 628.636
常用名: NK1 receptor antagonist 2
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2R,4R)-4-[(8aS)-6-oxo-octahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
IUPAC: (2R,4R)-4-[(8aS)-6-oxo-octahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
SMILES: [H][C@@]12CCC(=O)N1CCN(C2)[C@]1([H])CCN(C(=O)N(C)[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@]([H])(C1)c1ccc(F)cc1C
SMILES: [H][C@@]12CCC(=O)N1CCN(C2)[C@]1([H])CCN(C(=O)N(C)[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@]([H])(C1)c1ccc(F)cc1C
InChI key: XWNBGDJPEXZSQM-QSEFLHEVSA-N
