3-(4-{2-[2-(sec-butyl)phenoxy]ethoxy}phenyl)-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-(4-{2-[2-(sec-butyl)phenoxy]ethoxy}phenyl)-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(4-{2-[2-(sec-butyl)phenoxy]ethoxy}phenyl)-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0173 |
| Compound Name: | 3-(4-{2-[2-(sec-butyl)phenoxy]ethoxy}phenyl)-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 526.63 |
| Molecular Formula: | C25 H26 N4 O5 S2 |
| Smiles: | CCC(C)c1ccccc1OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1 |
| logD: | 2.74 |
| logSw: | -5.9 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 227.21 |
| InChI Key: | FAOKXKXENFFGGE-KRWDZBQOSA-N |