ChemDiv1_009428

methyl 6-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-5-cyano-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate

Also Known As: ChemDiv1_009428|HMS613M12|SR-01000484455-1|methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-isopropylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|METHYL 6-({[(4-ACETYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-5-CYANO-2-OXO-4-[4-(PROPAN-2-YL)PHENYL]-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE|methyl 6-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-hydroxy-4-[4-(propan-2-yl)phenyl]-3,4-dihydropyridine-3-carboxylate|methyl 6-({2-[(4-acetylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 6-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-5-cyano-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate

Molecular Formula	C27H27N3O5S
Molecular Weight	505.16714 g/mol
LogP	4.12228
Topological Polar Surface Area	125.36 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	505.16714
Monoisotopic Mass	505.16714
Heavy Atoms	36
Complexity	1243.6654

Chemical Identifiers

CAS Number	384357-06-6
SMILES	CC(C)C1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)C)C(=O)OC