N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C508-0501 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(4-ethoxy-2-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 501.52 |
| Molecular Formula: | C25 H19 N5 O5 S |
| Smiles: | CCOc1ccc(c(c1)[N+]([O-])=O)c1ccc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.75 |
| logD: | 4.43 |
| logSw: | -6.76 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 222.97 |
| InChI Key: | ONAQHMACGIJZPJ-UHFFFAOYSA-N |