2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide
Chemical Structure Depiction of
2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide
2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 4552-5494 |
| Compound Name: | 2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C29 H27 N3 O3 S |
| Smiles: | CC(C)c1ccc(cc1)C1CC(NC(=C1C#N)SCC(Nc1ccc(cc1)Oc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9315 |
| logD: | 5.876 |
| logSw: | -5.5643 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.813 |
| InChI Key: | VNHJYGNUVVKTQN-RUZDIDTESA-N |