2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide
Compound characteristics
| Compound ID: | C355-0521 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C19 H16 N4 O4 S3 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(o2)Sc2ccc(C)cc2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7 |
| logD: | 2.33 |
| logSw: | -5.27 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 234.74 |
| InChI Key: | RUSBOELGHDBPCI-UHFFFAOYSA-N |