1-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0004 |
| Compound Name: | 1-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 453.25 |
| Molecular Formula: | C19 H13 Br N6 O3 |
| Smiles: | C(c1nc(c2cccc(c2)[Br])no1)N1C2C(C(N(C2=O)c2ccccc2)=O)N=N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8428 |
| logD: | 2.8427 |
| logSw: | -3.2516 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 88.715 |
| InChI Key: | VKYGBRBUGZDWPM-UHFFFAOYSA-N |