2-(ethylsulfanyl)ethyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
2-(ethylsulfanyl)ethyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C276-1108 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 333.45 |
| Molecular Formula: | C18 H23 N O3 S |
| Smiles: | CCSCCOC(C1C(CC(NC=1C)=O)c1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0556 |
| logD: | 2.1157 |
| logSw: | -3.1417 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.487 |
| InChI Key: | LVWLLKLOBCRMJU-HNNXBMFYSA-N |