2-(benzylsulfanyl)-4-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(benzylsulfanyl)-4-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(benzylsulfanyl)-4-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-1211 |
| Compound Name: | 2-(benzylsulfanyl)-4-(4-ethylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 348.47 |
| Molecular Formula: | C21 H20 N2 O S |
| Smiles: | CCc1ccc(cc1)C1CC(NC(=C1C#N)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1584 |
| logD: | 4.1244 |
| logSw: | -4.0375 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.916 |
| InChI Key: | ALGXVRPKAWHXBD-GOSISDBHSA-N |