3-{4-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{4-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{4-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 8013-1195 |
| Compound Name: | 3-{4-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 464.85 |
| Molecular Formula: | C20 H12 Cl F3 N4 O2 S |
| Smiles: | C(c1ccccc1[Cl])Oc1ccc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.45 |
| logD: | 0.92 |
| logSw: | -6.52 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 147.75 |
| InChI Key: | CHPZJMSDQKBZNK-UHFFFAOYSA-N |