2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide
Compound characteristics
| Compound ID: | C356-0521 |
| Compound Name: | 2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C19 H16 N4 O4 S3 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(o2)Sc2ccc(C)cc2)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.83 |
| logD: | 2.45 |
| logSw: | -5.6 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 244.24 |
| InChI Key: | ODHTVPVBWJEULE-UHFFFAOYSA-N |