N-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | D296-0041 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 326.28 |
| Molecular Formula: | C16 H11 F N4 O3 |
| Smiles: | C1Oc2ccc(cc2O1)NC(c1cn(c2ccc(cc2)F)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7332 |
| logD: | 2.7328 |
| logSw: | -3.2096 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.81 |
| InChI Key: | LYCGZTBHTRZOHM-UHFFFAOYSA-N |