2-[5-(4-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,5-difluorophenyl)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-(2,5-difluorophenyl)acetamide
2-[5-(4-bromophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,5-difluorophenyl)acetamide
Compound characteristics
Compound ID: | C338-0242 |
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-(2,5-difluorophenyl)acetamide |
Molecular Weight: | 464.22 |
Molecular Formula: | C18 H12 Br F2 N5 O3 |
Smiles: | C(C(Nc1cc(ccc1F)F)=O)N1C2C(C(N(C2=O)c2ccc(cc2)[Br])=O)N=N1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.2468 |
logD: | 2.2362 |
logSw: | -2.9642 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.824 |
InChI Key: | LCYOPIJCGPQTQP-UHFFFAOYSA-N |