N-(4-bromophenyl)-2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 2188-1938 |
| Compound Name: | N-(4-bromophenyl)-2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 488.36 |
| Molecular Formula: | C21 H18 Br N3 O4 S |
| Smiles: | COc1cc(ccc1O)C1CC(NC(=C1C#N)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0196 |
| logD: | 2.9641 |
| logSw: | -3.255 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.243 |
| InChI Key: | XJZKXFTUJWSPOB-OAHLLOKOSA-N |