2-({4-[3-(benzyloxy)-4-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-bromophenyl)acetamide
Chemical Structure Depiction of
2-({4-[3-(benzyloxy)-4-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-bromophenyl)acetamide
2-({4-[3-(benzyloxy)-4-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-bromophenyl)acetamide
Compound characteristics
| Compound ID: | 8010-1702 |
| Compound Name: | 2-({4-[3-(benzyloxy)-4-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-bromophenyl)acetamide |
| Molecular Weight: | 578.48 |
| Molecular Formula: | C28 H24 Br N3 O4 S |
| Smiles: | COc1ccc(cc1OCc1ccccc1)C1CC(NC(=C1C#N)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7774 |
| logD: | 4.7219 |
| logSw: | -4.8369 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.01 |
| InChI Key: | ZAISNWIRVPLYFD-JOCHJYFZSA-N |