3-{3-[2-(2-chlorophenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{3-[2-(2-chlorophenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{3-[2-(2-chlorophenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4277-0671 |
| Compound Name: | 3-{3-[2-(2-chlorophenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 494.88 |
| Molecular Formula: | C21 H14 Cl F3 N4 O3 S |
| Smiles: | C(COc1ccccc1[Cl])Oc1cccc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.33 |
| logD: | 0.8 |
| logSw: | -6.48 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 160.04 |
| InChI Key: | QUDDCMQDBXIARE-UHFFFAOYSA-N |