1-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0198 |
| Compound Name: | 1-{[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-fluoro-4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 485.27 |
| Molecular Formula: | C20 H14 Br F N6 O3 |
| Smiles: | Cc1ccc(cc1F)N1C(C2C(C1=O)N(Cc1nc(c3ccccc3[Br])no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7974 |
| logD: | 2.7971 |
| logSw: | -3.2692 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.715 |
| InChI Key: | XVKJFYWDKXYJEL-UHFFFAOYSA-N |