methyl 5-cyano-4-(2-methylphenyl)-2-oxo-6-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 5-cyano-4-(2-methylphenyl)-2-oxo-6-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
methyl 5-cyano-4-(2-methylphenyl)-2-oxo-6-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 3331-4047 |
| Compound Name: | methyl 5-cyano-4-(2-methylphenyl)-2-oxo-6-[(prop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C18 H18 N2 O3 S |
| Smiles: | Cc1ccccc1C1C(C(NC(=C1C#N)SCC=C)=O)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.05 |
| logD: | 2.8913 |
| logSw: | -3.2922 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.418 |
| InChI Key: | HXTRQANFUURSHF-UHFFFAOYSA-N |