ethyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
ethyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 4552-5055 |
| Compound Name: | ethyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 395.27 |
| Molecular Formula: | C16 H15 Br N2 O3 S |
| Smiles: | CCOC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9483 |
| logD: | 2.8928 |
| logSw: | -3.3371 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.346 |
| InChI Key: | WWNCEURFTHHTLE-LBPRGKRZSA-N |