2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0080 |
| Compound Name: | 2-cyano-3-(3,4-dimethoxyphenyl)-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C15 H14 N4 O5 S2 |
| Smiles: | COc1ccc(/C=C(/C#N)C(Nc2nc(ns2)S(C)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.45 |
| logD: | -0.91 |
| logSw: | -2.6 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 227.77 |
| InChI Key: | ROFXLZKAGJUJLR-UHFFFAOYSA-N |