AC1MEQW3
methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: AE-848/40939255|methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate|methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 6-((2-(benzylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|METHYL 6-{[(BENZYLCARBAMOYL)METHYL]SULFANYL}-4-(4-CHLOROPHENYL)-5-CYANO-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE|methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-hydroxy-3,4-dihydropyridine-3-carboxylate|methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate
| Molecular Formula | C23H20ClN3O4S |
|---|---|
| Molecular Weight | 469.0863 g/mol |
| LogP | 3.12738 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.0863 |
| Monoisotopic Mass | 469.0863 |
| Heavy Atoms | 32 |
| Complexity | 1080.6704 |
Chemical Identifiers
| CAS Number | 369393-33-9 |
|---|---|
| SMILES | COC(=O)C1C(C(=C(NC1=O)SCC(=O)NCC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl |
Product Overview
AC1MEQW3 (CAS 369393-33-9), with molecular formula C23H20ClN3O4S and molecular weight 469.0863 g/mol. IUPAC: methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
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