methyl {[3,5-dicyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[3,5-dicyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
methyl {[3,5-dicyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 3329-3773 |
| Compound Name: | methyl {[3,5-dicyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C17 H15 N3 O3 S |
| Smiles: | Cc1ccccc1C1C(C#N)C(NC(=C1C#N)SCC(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6397 |
| logD: | 1.5843 |
| logSw: | -2.302 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.879 |
| InChI Key: | XYPSWAAPWIMKHZ-UHFFFAOYSA-N |