ethyl {[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
ethyl {[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 5608-0058 |
| Compound Name: | ethyl {[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 441.3 |
| Molecular Formula: | C17 H17 Br N2 O5 S |
| Smiles: | CCOC(CSC1=C(C#N)C(CC(N1)=O)c1cc(c(c(c1)[Br])O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0925 |
| logD: | 2.037 |
| logSw: | -2.6406 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.455 |
| InChI Key: | XTKUCFXHGFYRCW-JTQLQIEISA-N |