2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C508-0708 |
| Compound Name: | 2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 489.48 |
| Molecular Formula: | C19 H15 N5 O7 S2 |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)c1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.46 |
| logD: | 1.09 |
| logSw: | -4.35 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 298.45 |
| InChI Key: | UIIQBBSPZHSRGO-UHFFFAOYSA-N |