N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L524-0578 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 340.31 |
| Molecular Formula: | C17 H13 F N4 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cn(c2cccc(c2)F)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4705 |
| logD: | 2.4705 |
| logSw: | -2.8388 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.132 |
| InChI Key: | JQAFILSPGNKSBX-UHFFFAOYSA-N |