ChemDiv1_028825

methyl 6-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate

Also Known As: ChemDiv1_028825|Oprea1_320446|Oprea1_423182|HMS668O05|AE-848/40939298|SR-01000484579-1|methyl 6-({2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 6-((2-((4-chloro-2,5-dimethoxyphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|METHYL 6-({[(4-CHLORO-2,5-DIMETHOXYPHENYL)CARBAMOYL]METHYL}SULFANYL)-5-CYANO-4-(2-METHOXYPHENYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE|methyl 6-({2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-hydroxy-4-(2-methoxyphenyl)-3,4-dihydropyridine-3-carboxylate|methyl 6-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate|methyl 6-{[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate

Molecular Formula	C25H24ClN3O7S
Molecular Weight	545.10236 g/mol
LogP	3.47548
Topological Polar Surface Area	135.98 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	9
Exact Mass	545.10236
Monoisotopic Mass	545.10236
Heavy Atoms	37
Complexity	1291.5319

Chemical Identifiers

CAS Number	384356-72-3
SMILES	COC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC(=C(C=C3OC)Cl)OC)C(=O)OC