1-[(3-{4-[(propan-2-yl)oxy]phenyl}-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-[(propan-2-yl)oxy]phenyl}-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-[(propan-2-yl)oxy]phenyl}-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: | L108-0299 |
| Compound Name: | 1-[(3-{4-[(propan-2-yl)oxy]phenyl}-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: | 474.52 |
| Molecular Formula: | C25 H26 N6 O4 |
| Smiles: | CC(C)c1ccc(cc1)N1C(C2C(C1=O)N(Cc1nc(c3ccc(cc3)OC(C)C)no1)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.122 |
| logD: | 4.1219 |
| logSw: | -4.1641 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 95.518 |
| InChI Key: | KUUSZFJXNYVYFT-UHFFFAOYSA-N |