5-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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: | L108-1072 |
| Compound Name: | 5-(4-ethoxyphenyl)-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: | 462.46 |
| Molecular Formula: | C23 H22 N6 O5 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C(C1=O)N(Cc1nc(c3ccccc3OCC)no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4738 |
| logD: | 2.4737 |
| logSw: | -2.8585 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 103.049 |
| InChI Key: | PNXYIHQFCABLLL-UHFFFAOYSA-N |