2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}-N-(4-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}-N-(4-ethylphenyl)acetamide
2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}-N-(4-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | C433-0194 |
| Compound Name: | 2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}-N-(4-ethylphenyl)acetamide |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H25 N5 O3 |
| Smiles: | CCc1ccc(cc1)NC(CN1C2C(C(N(C2=O)c2ccc(cc2)C(C)C)=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5145 |
| logD: | 3.5144 |
| logSw: | -3.5221 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.522 |
| InChI Key: | SPUZIUGGDXHMRU-UHFFFAOYSA-N |