2-[5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-[5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[4-(propan-2-yl)phenyl]acetamide
2-[5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | C338-0125 |
| Compound Name: | 2-[5-(4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C22 H23 N5 O3 |
| Smiles: | CC(C)c1ccc(cc1)NC(CN1C2C(C(N(C2=O)c2ccc(C)cc2)=O)N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0072 |
| logD: | 3.0071 |
| logSw: | -3.2378 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.522 |
| InChI Key: | AVYDVNCKZDPXGU-UHFFFAOYSA-N |