2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide
2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C508-0424 |
| Compound Name: | 2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide |
| Molecular Weight: | 512.67 |
| Molecular Formula: | C24 H24 N4 O3 S3 |
| Smiles: | C1CCC(CC1)Sc1ccc(/C=C(/C#N)C(Nc2nnc(SCCOc3ccccc3)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 7.09 |
| logD: | 6.4 |
| logSw: | -7.22 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 239.58 |
| InChI Key: | JETWOCUVFVVAFV-UHFFFAOYSA-N |