6-(benzylsulfanyl)-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
Chemical Structure Depiction of
6-(benzylsulfanyl)-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
6-(benzylsulfanyl)-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 3329-3781 |
| Compound Name: | 6-(benzylsulfanyl)-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile |
| Molecular Weight: | 359.45 |
| Molecular Formula: | C21 H17 N3 O S |
| Smiles: | Cc1ccccc1C1C(C#N)C(NC(=C1C#N)SCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3442 |
| logD: | 3.3102 |
| logSw: | -3.5055 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.029 |
| InChI Key: | NBCDHRJSGGKJIB-UHFFFAOYSA-N |