2-(benzylsulfanyl)-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(benzylsulfanyl)-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(benzylsulfanyl)-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4296-0171 |
| Compound Name: | 2-(benzylsulfanyl)-4-(5-methylfuran-2-yl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 324.4 |
| Molecular Formula: | C18 H16 N2 O2 S |
| Smiles: | Cc1ccc(C2CC(NC(=C2C#N)SCc2ccccc2)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0305 |
| logD: | 2.9952 |
| logSw: | -3.2806 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.008 |
| InChI Key: | JFXGELUMKVQUQU-AWEZNQCLSA-N |