1-(4-bromo-3-methylphenyl)-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(4-bromo-3-methylphenyl)-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-(4-bromo-3-methylphenyl)-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0327 |
| Compound Name: | 1-(4-bromo-3-methylphenyl)-5-(4-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 403.21 |
| Molecular Formula: | C17 H12 Br F N4 O2 |
| Smiles: | Cc1cc(ccc1[Br])N1C2C(C(N(C2=O)c2ccc(cc2)F)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.289 |
| logD: | 3.2885 |
| logSw: | -3.3799 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.953 |
| InChI Key: | ILDGNJMSYRLJCN-UHFFFAOYSA-N |