1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0102 |
| Compound Name: | 1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3-fluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 471.24 |
| Molecular Formula: | C19 H12 Br F N6 O3 |
| Smiles: | C(c1nc(c2ccc(cc2)[Br])no1)N1C2C(C(N(C2=O)c2cccc(c2)F)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0266 |
| logD: | 3.0263 |
| logSw: | -3.1521 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.715 |
| InChI Key: | JPTKKEKXTYDAHD-UHFFFAOYSA-N |