HIT ID: HIT212658041
Cas No: 1626387-81-2
分子式: C22H24Cl2FN5O3
分子量: 496.36
常用名: AZD3759 hydrochloride
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 4.033283
IUPAC: 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl (2R)-2,4-dimethylpiperazine-1-carboxylate hydrochloride
IUPAC: 4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl (2R)-2,4-dimethylpiperazine-1-carboxylate hydrochloride
SMILES: Cl.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C
SMILES: Cl.COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C
InChI key: IFVBAZHARMVMRV-BTQNPOSSSA-N