1-{1-(4-chlorophenyl)-5-(2-ethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
Chemical Structure Depiction of
1-{1-(4-chlorophenyl)-5-(2-ethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
1-{1-(4-chlorophenyl)-5-(2-ethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
Compound characteristics
| Compound ID: | 5868-0447 |
| Compound Name: | 1-{1-(4-chlorophenyl)-5-(2-ethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one |
| Molecular Weight: | 487.91 |
| Molecular Formula: | C25 H21 Cl F3 N3 O2 |
| Smiles: | CCOc1ccccc1C1N(C(C(C)=O)=NN1c1ccc(cc1)[Cl])c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0585 |
| logD: | 7.0585 |
| logSw: | -6.3357 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.893 |
| InChI Key: | CVKHXSLZOXOVKO-DEOSSOPVSA-N |