5-(4-ethoxyphenyl)-1-[(3-{4-[(propan-2-yl)oxy]phenyl}-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-{4-[(propan-2-yl)oxy]phenyl}-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-{4-[(propan-2-yl)oxy]phenyl}-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: | L108-1074 |
| Compound Name: | 5-(4-ethoxyphenyl)-1-[(3-{4-[(propan-2-yl)oxy]phenyl}-1,2,4-oxadiazol-5-yl)methyl]-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: | CCOc1ccc(cc1)N1C(C2C(C1=O)N(Cc1nc(c3ccc(cc3)OC(C)C)no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1528 |
| logD: | 3.1527 |
| logSw: | -3.1604 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 102.642 |
| InChI Key: | CSZAPDOQONOMJJ-UHFFFAOYSA-N |