2-(benzylsulfanyl)-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
2-(benzylsulfanyl)-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2-(benzylsulfanyl)-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4296-0048 |
| Compound Name: | 2-(benzylsulfanyl)-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 364.46 |
| Molecular Formula: | C21 H20 N2 O2 S |
| Smiles: | CCOc1ccccc1C1CC(NC(=C1C#N)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8425 |
| logD: | 3.8085 |
| logSw: | -3.9471 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.126 |
| InChI Key: | QGJJOHMFFLQQQR-QGZVFWFLSA-N |