2-cyano-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0039 |
| Compound Name: | 2-cyano-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C18 H14 N4 O4 S3 |
| Smiles: | Cc1ccc(cc1)Sc1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.17 |
| logD: | 1.8 |
| logSw: | -4.78 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 254.68 |
| InChI Key: | YAUUDMCACTZCOJ-UHFFFAOYSA-N |