4-(2-ethoxyphenyl)-2-oxo-6-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
Chemical Structure Depiction of
4-(2-ethoxyphenyl)-2-oxo-6-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
4-(2-ethoxyphenyl)-2-oxo-6-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8011-0004 |
| Compound Name: | 4-(2-ethoxyphenyl)-2-oxo-6-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyridine-3,5-dicarbonitrile |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C18 H17 N3 O2 S |
| Smiles: | CCOc1ccccc1C1C(C#N)C(NC(=C1C#N)SCC=C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9372 |
| logD: | 2.8688 |
| logSw: | -3.3831 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.51 |
| InChI Key: | IBUQJZKOGSOOCN-UHFFFAOYSA-N |