2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide
Compound characteristics
| Compound ID: | C146-1126 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C19 H16 N4 O2 S3 |
| Smiles: | CCSc1nc(NC(C(=C/c2ccc(o2)Sc2ccc(C)cc2)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 6.12 |
| logD: | 5.43 |
| logSw: | -6.74 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 211.22 |
| InChI Key: | KEMWQQQLDQFAEE-UHFFFAOYSA-N |