methyl ({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
methyl ({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 2188-1898 |
| Compound Name: | methyl ({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C18 H20 N2 O3 S |
| Smiles: | CC(C)c1ccc(cc1)C1CC(NC(=C1C#N)SCC(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8614 |
| logD: | 2.806 |
| logSw: | -3.34 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.766 |
| InChI Key: | VOQXMAJPETWBBZ-CQSZACIVSA-N |