2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide
2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C508-0432 |
| Compound Name: | 2-cyano-3-[5-(4-methoxy-2-nitrophenyl)-2-furyl]-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide |
| Molecular Weight: | 549.58 |
| Molecular Formula: | C25 H19 N5 O6 S2 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)c1ccc(/C=C(/C#N)C(Nc2nnc(SCCOc3ccccc3)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 6.01 |
| logD: | 5.32 |
| logSw: | -7.04 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 273 |
| InChI Key: | RIJGPWAGONETFJ-UHFFFAOYSA-N |