3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4277-1115 |
| Compound Name: | 3-{4-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 524.9 |
| Molecular Formula: | C22 H16 Cl F3 N4 O4 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)ccc1OCCOc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.02 |
| logD: | 0.49 |
| logSw: | -5.99 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 165.24 |
| InChI Key: | ZGJJSFKPQRMVAU-UHFFFAOYSA-N |