methyl {[3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
methyl {[3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 2188-0736 |
| Compound Name: | methyl {[3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 347.35 |
| Molecular Formula: | C15 H13 N3 O5 S |
| Smiles: | COC(CSC1=C(C#N)C(CC(N1)=O)c1ccccc1[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4142 |
| logD: | 1.3587 |
| logSw: | -2.4156 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.847 |
| InChI Key: | QRPDWFZQLXMCQG-SNVBAGLBSA-N |