ChemDiv1_028783
methyl 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_028783|Oprea1_849524|HMS668M07|SR-01000484594-1|methyl 5-cyano-6-((2-((3,4-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|METHYL 5-CYANO-6-({[(3,4-DIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-4-(2-FLUOROPHENYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE|methyl 5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C24H22FN3O4S |
|---|---|
| Molecular Weight | 467.1315 g/mol |
| LogP | 3.55222 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.1315 |
| Monoisotopic Mass | 467.1315 |
| Heavy Atoms | 33 |
| Complexity | 1188.472 |
Chemical Identifiers
| CAS Number | 369395-98-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=CC=C3F)C#N)C |
Product Overview
ChemDiv1_028783 (CAS 369395-98-2), with molecular formula C24H22FN3O4S and molecular weight 467.1315 g/mol. IUPAC: methyl 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
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