HIT ID: HIT218851259
Cas No: 2691174-27-1
分子式: C27H36N4O4S
分子量: 512.67
常用名: BBDDL2059
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-[ethyl(oxan-4-yl)amino]-2-methyl-N-{[6-methyl-4-(methylsulfanyl)-2-oxo-1,2-dihydropyridin-3-yl]methyl}-5-[(prop-2-enamido)methyl]benzamide
IUPAC: 3-[ethyl(oxan-4-yl)amino]-2-methyl-N-{[6-methyl-4-(methylsulfanyl)-2-oxo-1,2-dihydropyridin-3-yl]methyl}-5-[(prop-2-enamido)methyl]benzamide
SMILES: CCN(C1CCOCC1)c1cc(CNC(=O)C=C)cc(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c1C
SMILES: CCN(C1CCOCC1)c1cc(CNC(=O)C=C)cc(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c1C
InChI key: BKTRXKQBQKZJJS-UHFFFAOYSA-N
