4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-bromo-2-fluorophenyl)-1H-1,2,3-triazol-5-amine
Chemical Structure Depiction of
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-bromo-2-fluorophenyl)-1H-1,2,3-triazol-5-amine
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-bromo-2-fluorophenyl)-1H-1,2,3-triazol-5-amine
Compound characteristics
| Compound ID: | E595-0076 |
| Compound Name: | 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-bromo-2-fluorophenyl)-1H-1,2,3-triazol-5-amine |
| Molecular Weight: | 445.21 |
| Molecular Formula: | C17 H10 Br F N6 O3 |
| Smiles: | C1Oc2ccc(cc2O1)c1nc(c2c(N)n(c3ccc(cc3F)[Br])nn2)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.7286 |
| logD: | 3.7286 |
| logSw: | -4.38 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.553 |
| InChI Key: | ZBOLGOWUMGNVIJ-UHFFFAOYSA-N |