N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-fluorobenzamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-fluorobenzamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-fluorobenzamide
Compound characteristics
| Compound ID: | V025-1591 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]phenyl}-4-fluorobenzamide |
| Molecular Weight: | 446.44 |
| Molecular Formula: | C24 H19 F N4 O4 |
| Smiles: | CCOc1nc(c2ccc3c(c2)OCO3)n(c2ccc(cc2)NC(c2ccc(cc2)F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1058 |
| logD: | 5.105 |
| logSw: | -5.0174 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.02 |
| InChI Key: | WAABCUCGMJGMCH-UHFFFAOYSA-N |