2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Chemical Structure Depiction of
2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-bromophenyl)acetamide
2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-bromophenyl)acetamide
Compound characteristics
| Compound ID: | 4296-0543 |
| Compound Name: | 2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-bromophenyl)acetamide |
| Molecular Weight: | 486.34 |
| Molecular Formula: | C21 H16 Br N3 O4 S |
| Smiles: | C1C(C(C#N)=C(NC1=O)SCC(Nc1ccc(cc1)[Br])=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7346 |
| logD: | 3.6791 |
| logSw: | -4.1364 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.18 |
| InChI Key: | GTKFAGYILQKZRA-OAHLLOKOSA-N |