2-[5-(4-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-methyl-N-phenylacetamide
Chemical Structure Depiction of
2-[5-(4-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-methyl-N-phenylacetamide
2-[5-(4-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-methyl-N-phenylacetamide
Compound characteristics
| Compound ID: | C338-0265 |
| Compound Name: | 2-[5-(4-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-methyl-N-phenylacetamide |
| Molecular Weight: | 442.27 |
| Molecular Formula: | C19 H16 Br N5 O3 |
| Smiles: | CN(C(CN1C2C(C(N(C2=O)c2ccc(cc2)[Br])=O)N=N1)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.276 |
| logD: | 1.276 |
| logSw: | -1.8881 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.486 |
| InChI Key: | KIQVLOIJVLLGHM-UHFFFAOYSA-N |