2-cyano-3-{3-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{3-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0506 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 542.63 |
| Molecular Formula: | C25 H26 N4 O6 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(CC)(=O)=O)=O)ccc1OCCOc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.39 |
| logD: | 2.03 |
| logSw: | -4.9 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 224.03 |
| InChI Key: | GRLDKIAHWKCKBQ-UHFFFAOYSA-N |