3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0246 |
| Compound Name: | 3-[4-(allyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 420.46 |
| Molecular Formula: | C17 H16 N4 O5 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)ccc1OCC=C |
| Stereo: | ACHIRAL |
| logP: | 2.36 |
| logSw: | -3.98 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 229.39 |
| InChI Key: | YMEIUBVLKRKHBF-UHFFFAOYSA-N |