2-[5-(4-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2-methoxy-5-methylphenyl)acetamide
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-(2-methoxy-5-methylphenyl)acetamide
2-[5-(4-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2-methoxy-5-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C338-0262 |
| 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-(2-methoxy-5-methylphenyl)acetamide |
| Molecular Weight: | 472.3 |
| Molecular Formula: | C20 H18 Br N5 O4 |
| Smiles: | Cc1ccc(c(c1)NC(CN1C2C(C(N(C2=O)c2ccc(cc2)[Br])=O)N=N1)=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9165 |
| logD: | 1.9164 |
| logSw: | -2.769 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.454 |
| InChI Key: | MZBPSPSMRDRNOP-UHFFFAOYSA-N |