HIT ID: HIT212669389
Cas No: 1360053-81-1
分子式: C28H28FN5O6S
分子量: 581.62
常用名: Spebrutinib besylate
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 4.134889
IUPAC: N-{3-[(5-fluoro-2-{[4-(2-methoxyethoxy)phenyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide; benzenesulfonic acid
IUPAC: N-{3-[(5-fluoro-2-{[4-(2-methoxyethoxy)phenyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide; benzenesulfonic acid
SMILES: OS(=O)(=O)c1ccccc1.COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
SMILES: OS(=O)(=O)c1ccccc1.COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
InChI key: ABSXPNGWJFAPRT-UHFFFAOYSA-N
