AC1MGUJ8

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

Also Known As: Oprea1_175987|Oprea1_356840|AE-848/41151207|methyl 6-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate|methyl 6-((2-((3-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|METHYL 6-({[(3-CHLORO-2-METHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE|methyl 6-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate

Molecular Formula	C23H19ClFN3O4S
Molecular Weight	487.07687 g/mol
LogP	3.8972
Topological Polar Surface Area	108.29 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	487.07687
Monoisotopic Mass	487.07687
Heavy Atoms	33
Complexity	1194.4692

Chemical Identifiers

CAS Number	488809-85-4
SMILES	CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=CC=C3F)C#N