1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0567 |
| Compound Name: | 1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(3,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 481.31 |
| Molecular Formula: | C21 H17 Br N6 O3 |
| Smiles: | Cc1ccc(cc1C)N1C(C2C(C1=O)N(Cc1nc(c3ccc(cc3)[Br])no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0837 |
| logD: | 4.0836 |
| logSw: | -4.261 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.715 |
| InChI Key: | FSZGESCCVBWUMR-UHFFFAOYSA-N |