1-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-1058 |
| Compound Name: | 1-{[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 497.31 |
| Molecular Formula: | C21 H17 Br N6 O4 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C(C1=O)N(Cc1nc(c3cccc(c3)[Br])no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3334 |
| logD: | 3.3332 |
| logSw: | -3.5638 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 95.839 |
| InChI Key: | LRHUBFXOCDROQT-UHFFFAOYSA-N |