methyl 5-(3,4-dimethylphenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-(3,4-dimethylphenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
methyl 5-(3,4-dimethylphenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8009-9072 |
| Compound Name: | methyl 5-(3,4-dimethylphenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 315.33 |
| Molecular Formula: | C16 H17 N3 O4 |
| Smiles: | Cc1ccc(cc1C)N1C(C2C(C(=O)OC)=NNC2(C)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0628 |
| logD: | 1.3814 |
| logSw: | -2.721 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.119 |
| InChI Key: | YBIPHAVVFCMZLI-UHFFFAOYSA-N |