3-{4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0172 |
| Compound Name: | 3-{4-[2-(2-chlorophenoxy)ethoxy]-3-ethoxyphenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 549.02 |
| Molecular Formula: | C23 H21 Cl N4 O6 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)ccc1OCCOc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.58 |
| logD: | 1.22 |
| logSw: | -4.52 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 230.44 |
| InChI Key: | JAWULHKDLTXMBI-UHFFFAOYSA-N |