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 |