2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C508-0460 |
| Compound Name: | 2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 448.63 |
| Molecular Formula: | C20 H24 N4 O2 S3 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2ccc(o2)SC2CCCCC2)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 6.89 |
| logD: | 6.2 |
| logSw: | -7.54 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 228.23 |
| InChI Key: | IEYYPIOJBWULNV-UHFFFAOYSA-N |