benzyl 5-(3,5-dimethylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
benzyl 5-(3,5-dimethylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
benzyl 5-(3,5-dimethylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 6996-1475 |
| Compound Name: | benzyl 5-(3,5-dimethylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C21 H19 N3 O4 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C2C(C1=O)NN=C2C(=O)OCc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7361 |
| logD: | 2.5206 |
| logSw: | -3.0827 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.012 |
| InChI Key: | ZAZODCXQQOXADI-UHFFFAOYSA-N |