N-(4-{3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-methylbutanamide
Chemical Structure Depiction of
N-(4-{3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-methylbutanamide
N-(4-{3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | V009-7991 |
| Compound Name: | N-(4-{3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-3-methylbutanamide |
| Molecular Weight: | 432.44 |
| Molecular Formula: | C22 H23 F3 N4 O2 |
| Smiles: | CCOc1nc(c2cccc(c2)C(F)(F)F)n(c2ccc(cc2)NC(CC(C)C)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7559 |
| logD: | 5.7559 |
| logSw: | -5.555 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.963 |
| InChI Key: | JEHSHUFAYRDFOW-UHFFFAOYSA-N |