2-[5-(4-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-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: | C433-0158 |
| Compound Name: | 2-[5-(4-ethoxyphenyl)-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: | 435.48 |
| Molecular Formula: | C23 H25 N5 O4 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C(C1=O)N(CC(Nc1ccc(cc1)C(C)C)=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9528 |
| logD: | 2.9527 |
| logSw: | -3.3469 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.646 |
| InChI Key: | IICOIACUYFNRES-UHFFFAOYSA-N |