5-(2H-1,3-benzodioxol-5-yl)-3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole
5-(2H-1,3-benzodioxol-5-yl)-3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | P507-0215 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole |
| Molecular Weight: | 347.33 |
| Molecular Formula: | C18 H13 N5 O3 |
| Smiles: | Cc1ccc(cc1)n1cc(c2nc(c3ccc4c(c3)OCO4)on2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.906 |
| logD: | 3.906 |
| logSw: | -3.8605 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 75.125 |
| InChI Key: | KQDAYFRIIMHPJT-UHFFFAOYSA-N |