methyl 5-(2-methyl-5-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-(2-methyl-5-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
methyl 5-(2-methyl-5-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 3849-0653 |
| Compound Name: | methyl 5-(2-methyl-5-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 332.27 |
| Molecular Formula: | C14 H12 N4 O6 |
| Smiles: | Cc1ccc(cc1N1C(C2C(C1=O)NN=C2C(=O)OC)=O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.7764 |
| logD: | 0.4414 |
| logSw: | -2.185 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.409 |
| InChI Key: | AVLIIDGTGZSEEU-UHFFFAOYSA-N |