2-cyano-3-[4-(methylsulfanyl)phenyl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[4-(methylsulfanyl)phenyl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[4-(methylsulfanyl)phenyl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0236 |
| Compound Name: | 2-cyano-3-[4-(methylsulfanyl)phenyl]-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 380.46 |
| Molecular Formula: | C14 H12 N4 O3 S3 |
| Smiles: | CSc1ccc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.57 |
| logD: | 0.21 |
| logSw: | -3.81 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 248.54 |
| InChI Key: | JQRJBVZTCFAGIY-UHFFFAOYSA-N |