3-(4-{2-[4-(tert-butyl)phenoxy]ethoxy}-3-methoxyphenyl)-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-methoxyphenyl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(4-{2-[4-(tert-butyl)phenoxy]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-1037 |
| Compound Name: | 3-(4-{2-[4-(tert-butyl)phenoxy]ethoxy}-3-methoxyphenyl)-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 546.57 |
| Molecular Formula: | C26 H25 F3 N4 O4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.48 |
| logD: | 1.95 |
| logSw: | -7.43 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 169.7 |
| InChI Key: | SRUQMYLUOOJTDB-UHFFFAOYSA-N |