1-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
1-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0091 |
| Compound Name: | 1-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-(4-ethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 476.49 |
| Molecular Formula: | C24 H24 N6 O5 |
| Smiles: | CCc1ccc(cc1)N1C(C2C(C1=O)N(Cc1nc(c3ccc(c(c3)OC)OCC)no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.016 |
| logD: | 3.0159 |
| logSw: | -3.1475 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 103.556 |
| InChI Key: | UYFGJGYCRJJIFQ-UHFFFAOYSA-N |