N-(4-{3-(2-ethoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4-{3-(2-ethoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-{3-(2-ethoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V009-9227 |
| Compound Name: | N-(4-{3-(2-ethoxyethoxy)-5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 540.5 |
| Molecular Formula: | C27 H23 F3 N4 O5 |
| Salt: | not_available |
| Smiles: | CCOCCOc1nc(c2cccc(c2)C(F)(F)F)n(c2ccc(cc2)NC(c2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.5797 |
| logD: | 5.5797 |
| logSw: | -5.596 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.292 |
| InChI Key: | MJJCSRDPAGUYPZ-UHFFFAOYSA-N |