2-[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide
Chemical Structure Depiction of
2-[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide
2-[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide
Compound characteristics
| Compound ID: | C433-0041 |
| Compound Name: | 2-[5-(4-methoxyphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-phenylacetamide |
| Molecular Weight: | 379.37 |
| Molecular Formula: | C19 H17 N5 O4 |
| Smiles: | COc1ccc(cc1)N1C(C2C(C1=O)N(CC(Nc1ccccc1)=O)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.0363 |
| logD: | 1.0362 |
| logSw: | -2.2033 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.066 |
| InChI Key: | XHMGQOXTEJZXEV-UHFFFAOYSA-N |