2-{[5-acetyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-(2,6-dibromo-4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[5-acetyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-(2,6-dibromo-4-nitrophenyl)acetamide
2-{[5-acetyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-(2,6-dibromo-4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8012-6676 |
| Compound Name: | 2-{[5-acetyl-3-cyano-4-(furan-2-yl)-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-(2,6-dibromo-4-nitrophenyl)acetamide |
| Molecular Weight: | 596.25 |
| Molecular Formula: | C21 H16 Br2 N4 O5 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1c(cc(cc1[Br])[N+]([O-])=O)[Br])=O)c1ccco1)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0277 |
| logD: | 1.6474 |
| logSw: | -4.0825 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.371 |
| InChI Key: | RGISADRIAJNNRL-LJQANCHMSA-N |