5-(3,4-dimethoxyphenyl)-1-{[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-1-{[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3,4-dimethoxyphenyl)-1-{[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0545 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-1-{[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 478.46 |
| Molecular Formula: | C23 H22 N6 O6 |
| Smiles: | CCOc1ccccc1c1nc(CN2C3C(C(N(C3=O)c3ccc(c(c3)OC)OC)=O)N=N2)on1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7625 |
| logD: | 1.7624 |
| logSw: | -2.6794 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 111.187 |
| InChI Key: | VENLLEUUCQOQSI-UHFFFAOYSA-N |