2-cyano-3-{3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0027 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 528.61 |
| Molecular Formula: | C24 H24 N4 O6 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)ccc1OCCOc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 3.66 |
| logD: | 1.3 |
| logSw: | -4.65 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 231.08 |
| InChI Key: | NQIMALFPIQNNLR-UHFFFAOYSA-N |