2-({4-[4-(benzyloxy)-3-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(3-chlorophenyl)acetamide
Chemical Structure Depiction of
2-({4-[4-(benzyloxy)-3-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(3-chlorophenyl)acetamide
2-({4-[4-(benzyloxy)-3-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(3-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | 4296-0483 |
| Compound Name: | 2-({4-[4-(benzyloxy)-3-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(3-chlorophenyl)acetamide |
| Molecular Weight: | 534.03 |
| Molecular Formula: | C28 H24 Cl N3 O4 S |
| Smiles: | COc1cc(ccc1OCc1ccccc1)C1CC(NC(=C1C#N)SCC(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.897 |
| logD: | 4.8416 |
| logSw: | -5.1844 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.01 |
| InChI Key: | VGZFJAXKMYQQFD-JOCHJYFZSA-N |