Name: N-[3,5-bis(trifluoromethyl)phenyl]-N'-[(9r)-6'-methoxycinchonan-9-yl]- thiourea
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HIT ID:HIT212059076
Cas No:852913-25-8
常用名:N-[3,5-bis(trifluoromethyl)phenyl]-N'-[(9r)-6'-methoxycinchonan-9-yl]- thiourea
常用名:N-[3,5-bis(trifluoromethyl)phenyl]-N'-[(9r)-6'-methoxycinchonan-9-yl]- thiourea
别名:N-[3,5-双(三氟甲基)苯基]-N′-[(9R)-6′-甲氧基-9-金鸡宁]硫脲
别名:N-[3,5-双(三氟甲基)苯基]-N′-[(9R)-6′-甲氧基-9-金鸡宁]硫脲
IUPAC:1-[3,5-bis(trifluoromethyl)phenyl]-3-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methyl]thiourea
IUPAC:1-[3,5-bis(trifluoromethyl)phenyl]-3-[(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methyl]thiourea
InChI key:IQMKPBFOEWWDIQ-ZRJNXXGPSA-N

分子式:C29H28F6N4OS
分子量:594.62
氢键供体数 (HBD):2
氢键受体数 (HBA):3
LogP:6.4556975
SMILES:[H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@H](NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccnc2ccc(OC)cc12
SMILES:[H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@H](NC(=S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccnc2ccc(OC)cc12

N-[3,5-bis(trifluoromethyl)phenyl]-N'-[(9r)-6'-methoxycinchonan-9-yl]- thiourea是金鸡纳生物碱衍生的双功能催化剂。

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