HIT ID: HIT212716515
Cas No: 78617-10-4
分子式: C17H22BrNO3
分子量: 368.271
常用名: JB 1-0
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 3.3209162
IUPAC: 4-(2-bromo-4,5-dimethoxyphenyl)-octahydro-1H-quinolizin-2-one
IUPAC: 4-(2-bromo-4,5-dimethoxyphenyl)-octahydro-1H-quinolizin-2-one
SMILES: COc1cc(Br)c(cc1OC)C1CC(=O)CC2CCCCN12
SMILES: COc1cc(Br)c(cc1OC)C1CC(=O)CC2CCCCN12
InChI key: GBSNIMKWBQIPII-UHFFFAOYSA-N