2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(1-naphthyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(1-naphthyl)acrylamide
2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(1-naphthyl)acrylamide
Compound characteristics
| Compound ID: | C354-0119 |
| Compound Name: | 2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(1-naphthyl)acrylamide |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C17 H12 N4 O S2 |
| Smiles: | CSc1nc(NC(C(=C\c2cccc3ccccc23)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.53 |
| logD: | 3.5 |
| logSw: | -5.29 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 168.45 |
| InChI Key: | ZQGGWJIVYVZLJG-UHFFFAOYSA-N |