2-(benzylsulfanyl)-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(benzylsulfanyl)-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(benzylsulfanyl)-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-7837 |
| Compound Name: | 2-(benzylsulfanyl)-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 340.46 |
| Molecular Formula: | C18 H16 N2 O S2 |
| Smiles: | Cc1ccsc1C1CC(NC(=C1C#N)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4937 |
| logD: | 3.4583 |
| logSw: | -3.7289 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.934 |
| InChI Key: | XGSXYYSIJLTWRZ-CQSZACIVSA-N |