methyl {[3-cyano-4-(4-hydroxy-3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[3-cyano-4-(4-hydroxy-3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
methyl {[3-cyano-4-(4-hydroxy-3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8009-6591 |
| Compound Name: | methyl {[3-cyano-4-(4-hydroxy-3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 363.35 |
| Molecular Formula: | C15 H13 N3 O6 S |
| Smiles: | COC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(c(c1)[N+]([O-])=O)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4254 |
| logD: | 1.145 |
| logSw: | -2.3657 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.395 |
| InChI Key: | ZJMGUIKRCCRXQL-SECBINFHSA-N |