HIT ID: HIT211999726
Cas No: 451492-95-8
分子式: C27H28ClFN6O
分子量: 507.01
常用名: AV-412 free base
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 5.159708
IUPAC: N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-yn-1-yl]quinazolin-6-yl}prop-2-enamide
IUPAC: N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-yn-1-yl]quinazolin-6-yl}prop-2-enamide
SMILES: CN1CCN(CC1)C(C)(C)C#Cc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C
SMILES: CN1CCN(CC1)C(C)(C)C#Cc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=C
InChI key: ZAJXXUDARPGGOC-UHFFFAOYSA-N
