4-(2-ethoxyphenyl)-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
Chemical Structure Depiction of
4-(2-ethoxyphenyl)-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
4-(2-ethoxyphenyl)-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 2699-0034 |
| Compound Name: | 4-(2-ethoxyphenyl)-6-oxo-2-[(prop-2-en-1-yl)sulfanyl]-1,4,5,6-tetrahydropyridine-3-carbonitrile |
| Molecular Weight: | 314.4 |
| Molecular Formula: | C17 H18 N2 O2 S |
| Smiles: | CCOc1ccccc1C1CC(NC(=C1C#N)SCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.324 |
| logD: | 3.2556 |
| logSw: | -3.5637 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.397 |
| InChI Key: | RAOSUHAWSOXLIJ-CYBMUJFWSA-N |