2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0568 |
| Compound Name: | 2-cyano-3-(3-ethoxy-4-hydroxyphenyl)-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C16 H16 N4 O5 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(CC)(=O)=O)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 2.32 |
| logD: | -0.03 |
| logSw: | -3.99 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 249.15 |
| InChI Key: | MGXDNLDBKNLVQF-UHFFFAOYSA-N |