methyl 6-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 6-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 8009-1456 |
| Compound Name: | methyl 6-{[2-(benzyloxy)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 481.48 |
| Molecular Formula: | C23 H19 N3 O7 S |
| Smiles: | COC(C1C(C(C#N)=C(NC1=O)SCC(=O)OCc1ccccc1)c1ccccc1[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1123 |
| logD: | 2.9811 |
| logSw: | -3.6213 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.761 |
| InChI Key: | UGJUYLLUOAPBPN-UHFFFAOYSA-N |