methyl {[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
methyl {[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4296-0340 |
| Compound Name: | methyl {[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 346.36 |
| Molecular Formula: | C16 H14 N2 O5 S |
| Smiles: | COC(CSC1=C(C#N)C(CC(N1)=O)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5207 |
| logD: | 1.4653 |
| logSw: | -2.4944 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.882 |
| InChI Key: | GOHSLRHFFHURLM-SNVBAGLBSA-N |