2-(ethylsulfanyl)ethyl 2-methyl-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 2-methyl-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
2-(ethylsulfanyl)ethyl 2-methyl-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C276-1536 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 2-methyl-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C17 H20 N2 O5 S |
| Smiles: | CCSCCOC(C1C(CC(NC=1C)=O)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4614 |
| logD: | 1.5214 |
| logSw: | -2.8739 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.868 |
| InChI Key: | UHUJDIGZHQZTNK-AWEZNQCLSA-N |