2-{[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
2-{[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 4552-5440 |
| Compound Name: | 2-{[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C21 H18 N4 O5 S |
| Smiles: | COc1ccc(cc1)NC(CSC1=C(C#N)C(CC(N1)=O)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7947 |
| logD: | 2.7392 |
| logSw: | -3.4698 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.99 |
| InChI Key: | BKQOASODKKVHAC-QGZVFWFLSA-N |