N-(3-butoxyphenyl)-2-{[3-cyano-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-butoxyphenyl)-2-{[3-cyano-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
N-(3-butoxyphenyl)-2-{[3-cyano-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8011-2434 |
| Compound Name: | N-(3-butoxyphenyl)-2-{[3-cyano-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 509.62 |
| Molecular Formula: | C27 H31 N3 O5 S |
| Smiles: | CCCCOc1cccc(c1)NC(CSC1=C(C#N)C(CC(N1)=O)c1ccc(c(c1)OC)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4654 |
| logD: | 4.4099 |
| logSw: | -4.2699 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.323 |
| InChI Key: | PCGRLJLGPHSWEW-OAQYLSRUSA-N |