N-{4-[3-(2-ethoxyethoxy)-5-(4-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methylbenzamide
Chemical Structure Depiction of
N-{4-[3-(2-ethoxyethoxy)-5-(4-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methylbenzamide
N-{4-[3-(2-ethoxyethoxy)-5-(4-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | V003-3794 |
| Compound Name: | N-{4-[3-(2-ethoxyethoxy)-5-(4-fluorophenyl)-1H-1,2,4-triazol-1-yl]phenyl}-4-methylbenzamide |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C26 H25 F N4 O3 |
| Salt: | not_available |
| Smiles: | CCOCCOc1nc(c2ccc(cc2)F)n(c2ccc(cc2)NC(c2ccc(C)cc2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.308 |
| logD: | 5.3079 |
| logSw: | -5.2988 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.176 |
| InChI Key: | XNULBSJJRCFBBE-UHFFFAOYSA-N |