methyl 5-(2-bromophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-(2-bromophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
methyl 5-(2-bromophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8008-2855 |
| Compound Name: | methyl 5-(2-bromophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 352.14 |
| Molecular Formula: | C13 H10 Br N3 O4 |
| Smiles: | COC(C1C2C(C(N(C2=O)c2ccccc2[Br])=O)NN=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7879 |
| logD: | 0.3276 |
| logSw: | -1.7456 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.028 |
| InChI Key: | WDZNAZASSADKQS-UHFFFAOYSA-N |