N-(4-bromophenyl)-2-{[3,5-dicyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[3,5-dicyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[3,5-dicyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 3448-4291 |
| Compound Name: | N-(4-bromophenyl)-2-{[3,5-dicyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 511.4 |
| Molecular Formula: | C23 H19 Br N4 O3 S |
| Smiles: | CCOc1ccccc1C1C(C#N)C(NC(=C1C#N)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9651 |
| logD: | 3.9096 |
| logSw: | -3.9779 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.388 |
| InChI Key: | ORXQUJNFRGTZIG-UHFFFAOYSA-N |