methyl [(3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
methyl [(3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]acetate
methyl [(3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 3331-3807 |
| Compound Name: | methyl [(3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 302.35 |
| Molecular Formula: | C15 H14 N2 O3 S |
| Smiles: | COC(CSC1=C(C#N)C(CC(N1)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5275 |
| logD: | 1.4721 |
| logSw: | -2.2358 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.766 |
| InChI Key: | XXQWUCAXZIAJPE-LLVKDONJSA-N |