3-(4-{2-[2-(sec-butyl)phenoxy]ethoxy}phenyl)-2-cyano-N~1~-[5-(trifluoromethyl)-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-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(4-{2-[2-(sec-butyl)phenoxy]ethoxy}phenyl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4277-0986 |
| Compound Name: | 3-(4-{2-[2-(sec-butyl)phenoxy]ethoxy}phenyl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 516.54 |
| Molecular Formula: | C25 H23 F3 N4 O3 S |
| Smiles: | CCC(C)c1ccccc1OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.69 |
| logD: | 2.15 |
| logSw: | -7.29 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 154.24 |
| InChI Key: | HIHUXTMGCUOZEM-INIZCTEOSA-N |