2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | 5542-0217 |
| Compound Name: | 2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 441.48 |
| Molecular Formula: | C22 H20 F N3 O4 S |
| Smiles: | CCOc1cc(ccc1O)C1CC(NC(=C1C#N)SCC(Nc1cccc(c1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8579 |
| logD: | 2.8024 |
| logSw: | -3.1155 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.823 |
| InChI Key: | AAQXVTABFAFTDO-MRXNPFEDSA-N |