1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(2,3-dihydro-1H-inden-5-yl)-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-(2,3-dihydro-1H-inden-5-yl)-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-(2,3-dihydro-1H-inden-5-yl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0629 |
| Compound Name: | 1-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(2,3-dihydro-1H-inden-5-yl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 493.32 |
| Molecular Formula: | C22 H17 Br N6 O3 |
| Smiles: | C1Cc2ccc(cc2C1)N1C(C2C(C1=O)N(Cc1nc(c3ccc(cc3)[Br])no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7783 |
| logD: | 3.7782 |
| logSw: | -4.0955 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 89.002 |
| InChI Key: | ILQAEHWRLRLTEX-UHFFFAOYSA-N |