butyl [(3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
butyl [(3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]acetate
butyl [(3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 2188-1812 |
| Compound Name: | butyl [(3-cyano-6-oxo-4-phenyl-1,4,5,6-tetrahydropyridin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C18 H20 N2 O3 S |
| Smiles: | CCCCOC(CSC1=C(C#N)C(CC(N1)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9907 |
| logD: | 2.9352 |
| logSw: | -3.288 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.64 |
| InChI Key: | XHTWWDXDQVSRLE-CQSZACIVSA-N |