HIT ID: HIT212666253
Cas No:
分子式: C30H32F6N4O2
分子量: 600.639
常用名: Netupitant N-oxide D6
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 6.13228
IUPAC: 4-(5-{2-[3,5-bis(trifluoromethyl)phenyl]-2-(2H3)methyl-N-methyl(3,3,3-2H3)propanamido}-4-(2-methylphenyl)pyridin-2-yl)-1-methylpiperazin-1-ium-1-olate
IUPAC: 4-(5-{2-[3,5-bis(trifluoromethyl)phenyl]-2-(2H3)methyl-N-methyl(3,3,3-2H3)propanamido}-4-(2-methylphenyl)pyridin-2-yl)-1-methylpiperazin-1-ium-1-olate
SMILES: [2H]C([2H])([2H])C(C(=O)N(C)c1cnc(cc1-c1ccccc1C)N1CC[N+](C)([O-])CC1)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C([2H])([2H])[2H]
SMILES: [2H]C([2H])([2H])C(C(=O)N(C)c1cnc(cc1-c1ccccc1C)N1CC[N+](C)([O-])CC1)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C([2H])([2H])[2H]
InChI key: FKUOVQVMCOPBJS-XERRXZQWSA-N
