ethyl {4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}acetate
Chemical Structure Depiction of
ethyl {4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}acetate
ethyl {4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}acetate
Compound characteristics
| Compound ID: | C200-9428 |
| Compound Name: | ethyl {4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}acetate |
| Molecular Weight: | 344.37 |
| Molecular Formula: | C17 H20 N4 O4 |
| Smiles: | CCOC(CN1C2C(C(N(C2=O)c2ccc(cc2)C(C)C)=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.587 |
| logD: | 1.5869 |
| logSw: | -2.1183 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.803 |
| InChI Key: | SQJRNDVGQZZUCX-UHFFFAOYSA-N |