2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-{5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-{5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-{5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C508-0420 |
| Compound Name: | 2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]-N~1~-{5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}acrylamide |
| Molecular Weight: | 531.55 |
| Molecular Formula: | C26 H21 N5 O6 S |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)c1ccc(/C=C(/C#N)C(Nc2nnc(COc3cccc(C)c3)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 6.06 |
| logD: | 3.82 |
| logSw: | -7.28 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 231.17 |
| InChI Key: | HPQBOHWIVVDWOA-UHFFFAOYSA-N |