methyl 1-acetyl-5-(3-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-acetyl-5-(3-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
methyl 1-acetyl-5-(3-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 3849-0801 |
| Compound Name: | methyl 1-acetyl-5-(3-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 329.31 |
| Molecular Formula: | C16 H15 N3 O5 |
| Smiles: | CC(N1C2C(C(C(=O)OC)=N1)C(N(C2=O)c1cccc(C)c1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.49 |
| logD: | 0.4885 |
| logSw: | -1.5254 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.828 |
| InChI Key: | DVQBEULFVAMJSG-UHFFFAOYSA-N |