2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 8013-0831 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 492.45 |
| Molecular Formula: | C22 H16 F4 N4 O3 S |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)ccc1OCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.88 |
| logD: | 0.34 |
| logSw: | -5.72 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 148.43 |
| InChI Key: | KFKPRRAEYUTJFD-UHFFFAOYSA-N |