3-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | G026-0286 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazole |
| Molecular Weight: | 426.23 |
| Molecular Formula: | C18 H12 Br N5 O3 |
| Smiles: | Cc1c(c2nc(c3ccc4c(c3)OCO4)no2)nnn1c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.5116 |
| logD: | 4.5116 |
| logSw: | -4.455 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 75.603 |
| InChI Key: | HBVXXPPHLLEXQL-UHFFFAOYSA-N |