methyl 5-(2-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-(2-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
methyl 5-(2-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8007-6889 |
| Compound Name: | methyl 5-(2-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 287.27 |
| Molecular Formula: | C14 H13 N3 O4 |
| Smiles: | Cc1ccccc1N1C(C2C(C1=O)NN=C2C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6331 |
| logD: | 0.2981 |
| logSw: | -1.6717 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.028 |
| InChI Key: | IIIAVTLDDGZKOM-UHFFFAOYSA-N |