methyl 5-(4-bromophenyl)-1-(2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-(4-bromophenyl)-1-(2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
methyl 5-(4-bromophenyl)-1-(2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 6806-5064 |
| Compound Name: | methyl 5-(4-bromophenyl)-1-(2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 458.27 |
| Molecular Formula: | C20 H16 Br N3 O5 |
| Smiles: | COC(C1C2C(C(N(C2=O)c2ccc(cc2)[Br])=O)N(c2ccccc2OC)N=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7049 |
| logD: | 2.6562 |
| logSw: | -3.0466 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.223 |
| InChI Key: | FWPHJCTZBHWGFM-UHFFFAOYSA-N |