methyl {[3-cyano-6-oxo-4-(thiophen-3-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[3-cyano-6-oxo-4-(thiophen-3-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
methyl {[3-cyano-6-oxo-4-(thiophen-3-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8009-7842 |
| Compound Name: | methyl {[3-cyano-6-oxo-4-(thiophen-3-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 308.38 |
| Molecular Formula: | C13 H12 N2 O3 S2 |
| Smiles: | COC(CSC1=C(C#N)C(CC(N1)=O)c1ccsc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2722 |
| logD: | 1.227 |
| logSw: | -2.2227 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.784 |
| InChI Key: | DEUNITGWHVVPNT-VIFPVBQESA-N |