3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4277-0868 |
| Compound Name: | 3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 508.91 |
| Molecular Formula: | C22 H16 Cl F3 N4 O3 S |
| Smiles: | Cc1cc(ccc1[Cl])OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.31 |
| logD: | 1.77 |
| logSw: | -7.35 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 164.7 |
| InChI Key: | VVDMHDGOPOJDHG-UHFFFAOYSA-N |