2-(methylsulfanyl)ethyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
2-(methylsulfanyl)ethyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
2-(methylsulfanyl)ethyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C276-1118 |
| Compound Name: | 2-(methylsulfanyl)ethyl 2-methyl-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 319.42 |
| Molecular Formula: | C17 H21 N O3 S |
| Smiles: | CC1=C(C(CC(N1)=O)c1ccccc1C)C(=O)OCCSC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5978 |
| logD: | 1.6578 |
| logSw: | -2.9592 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.487 |
| InChI Key: | GCBNDIWIWZKKMF-AWEZNQCLSA-N |