3-(4-{2-[4-(tert-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-(tert-butyl)phenoxy]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(4-{2-[4-(tert-butyl)phenoxy]ethoxy}-3-ethoxyphenyl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-1089 |
| Compound Name: | 3-(4-{2-[4-(tert-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: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)ccc1OCCOc1ccc(cc1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.63 |
| logD: | 2.1 |
| logSw: | -7.57 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 161.92 |
| InChI Key: | MGTRDKLPNRCKPY-UHFFFAOYSA-N |