HIT ID: HIT212711433
Cas No: 20049-44-9
分子式: C22H25NO6
分子量: 399.443
常用名: Nor-SCH-12679 Maleate
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 3.0435786
IUPAC: (2Z)-but-2-enedioic acid; 7,8-dimethoxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
IUPAC: (2Z)-but-2-enedioic acid; 7,8-dimethoxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILES: OC(=O)\C=C/C(O)=O.COc1cc2CCNCC(c3ccccc3)c2cc1OC
SMILES: OC(=O)\C=C/C(O)=O.COc1cc2CCNCC(c3ccccc3)c2cc1OC
InChI key: BYWOXZMISCSWBQ-BTJKTKAUSA-N