AC1NC57Y
benzyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: AG-205/12010084|SR-01000443143-1|benzyl {[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate|F0421-0002|A1930/0081217|benzyl 2-((4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate|benzyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate|benzyl {[4-(2-chlorophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}acetate|BENZYL 2-{[4-(2-CHLOROPHENYL)-3-CYANO-6-OXO-1,4,5,6-TETRAHYDROPYRIDIN-2-YL]SULFANYL}ACETATE|BENZYL 2-{[4-(2-CHLOROPHENYL)-3-CYANO-6-OXO-4,5-DIHYDRO-1H-PYRIDIN-2-YL]SULFANYL}ACETATE
| Molecular Formula | C21H17ClN2O3S |
|---|---|
| Molecular Weight | 412.06485 g/mol |
| LogP | 4.15528 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.06485 |
| Monoisotopic Mass | 412.06485 |
| Heavy Atoms | 28 |
| Complexity | 953.6231 |
Chemical Identifiers
| CAS Number | 332045-96-2 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=CC=C3Cl |
Product Overview
AC1NC57Y (CAS 332045-96-2), with molecular formula C21H17ClN2O3S and molecular weight 412.06485 g/mol. IUPAC: benzyl 2-[[4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
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