HIT ID: HIT212000338
Cas No: 1202757-89-8
分子式: C22H22FN5O3
分子量: 423.448
常用名: Spebrutinib
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 4.554
IUPAC: N-{3-[(5-fluoro-2-{[4-(2-methoxyethoxy)phenyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide
IUPAC: N-{3-[(5-fluoro-2-{[4-(2-methoxyethoxy)phenyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide
SMILES: COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
SMILES: COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1
InChI key: KXBDTLQSDKGAEB-UHFFFAOYSA-N
