3-(4-{2-[4-(sec-butyl)phenoxy]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-(4-{2-[4-(sec-butyl)phenoxy]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(4-{2-[4-(sec-butyl)phenoxy]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-1088 |
| Compound Name: | 3-(4-{2-[4-(sec-butyl)phenoxy]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 560.59 |
| Molecular Formula: | C27 H27 F3 N4 O4 S |
| Smiles: | CCC(C)c1ccc(cc1)OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.76 |
| logD: | 2.23 |
| logSw: | -7.74 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 167.67 |
| InChI Key: | GETXAUVKNDZMJI-KRWDZBQOSA-N |