3-[5-(3-chloro-4-methylphenyl)-2-furyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[5-(3-chloro-4-methylphenyl)-2-furyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[5-(3-chloro-4-methylphenyl)-2-furyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0071 |
| Compound Name: | 3-[5-(3-chloro-4-methylphenyl)-2-furyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 448.9 |
| Molecular Formula: | C18 H13 Cl N4 O4 S2 |
| Smiles: | Cc1ccc(cc1[Cl])c1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.27 |
| logD: | 1.89 |
| logSw: | -4.84 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 215.36 |
| InChI Key: | OZCTURXHJHLJBB-UHFFFAOYSA-N |