Name: Netupitant metabolite N-desmethyl Netupitant
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212666251
Cas No:290296-72-9
常用名:Netupitant metabolite N-desmethyl Netupitant
常用名:Netupitant metabolite N-desmethyl Netupitant
IUPAC:2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(piperazin-1-yl)pyridin-3-yl]propanamide
IUPAC:2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(piperazin-1-yl)pyridin-3-yl]propanamide
InChI key:SRVSDBHUBFLSFE-UHFFFAOYSA-N

分子式:C29H30F6N4O
分子量:564.576
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:6.873607
SMILES:CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCNCC1
SMILES:CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCNCC1

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