2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}acrylamide
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}acrylamide
Compound characteristics
| Compound ID: | C508-0454 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}acrylamide |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C17 H14 N4 O3 S3 |
| Smiles: | CCSc1nc(NC(C(=C/c2ccc(o2)SCc2ccco2)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.01 |
| logD: | 4.32 |
| logSw: | -5.84 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 225.89 |
| InChI Key: | KNSRLECLRIGEPP-UHFFFAOYSA-N |