3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide
Chemical Structure Depiction of
3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide
3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C639-0442 |
| Compound Name: | 3-[5-(benzylsulfanyl)-2-furyl]-2-cyano-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C25 H20 N4 O3 S3 |
| Smiles: | C(CSc1nnc(NC(C(=C/c2ccc(o2)SCc2ccccc2)\C#N)=O)s1)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.26 |
| logD: | 5.58 |
| logSw: | -6.83 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 224.29 |
| InChI Key: | LSSKMSANJQABKS-UHFFFAOYSA-N |