benzyl 5-(4-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
benzyl 5-(4-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
benzyl 5-(4-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 6996-1470 |
| Compound Name: | benzyl 5-(4-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 379.37 |
| Molecular Formula: | C20 H17 N3 O5 |
| Smiles: | COc1ccc(cc1)N1C(C2C(C1=O)NN=C2C(=O)OCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6832 |
| logD: | 1.4677 |
| logSw: | -1.8564 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.556 |
| InChI Key: | BZILHKWBVUWUJV-UHFFFAOYSA-N |