N-(3-chloro-4-methylphenyl)-2-{[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-{[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
N-(3-chloro-4-methylphenyl)-2-{[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 4554-6435 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-{[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 456.91 |
| Molecular Formula: | C21 H17 Cl N4 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=C(C#N)C(CC(N1)=O)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2025 |
| logD: | 4.147 |
| logSw: | -4.5132 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.447 |
| InChI Key: | ZNJJJWGOAVAFDA-MRXNPFEDSA-N |