1-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-[4-(propan-2-yl)phenyl]-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-(propan-2-yl)phenyl]-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-(propan-2-yl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L108-0308 |
| Compound Name: | 1-{[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-[4-(propan-2-yl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 490.52 |
| Molecular Formula: | C25 H26 N6 O5 |
| Smiles: | CCOc1ccc(cc1OC)c1nc(CN2C3C(C(N(C3=O)c3ccc(cc3)C(C)C)=O)N=N2)on1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4235 |
| logD: | 3.4234 |
| logSw: | -3.5586 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 103.556 |
| InChI Key: | DBSAAIVQVSYOJV-UHFFFAOYSA-N |