2-{[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
2-{[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | 4554-6406 |
| Compound Name: | 2-{[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 460.32 |
| Molecular Formula: | C20 H15 Br F N3 O2 S |
| Smiles: | C1C(C(C#N)=C(NC1=O)SCC(Nc1ccc(cc1)F)=O)c1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7662 |
| logD: | 3.7107 |
| logSw: | -4.1232 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.065 |
| InChI Key: | AJTRFIUIZNLEAC-INIZCTEOSA-N |