methyl 5-(4-methoxy-2-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-(4-methoxy-2-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
methyl 5-(4-methoxy-2-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8016-1127 |
| Compound Name: | methyl 5-(4-methoxy-2-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 348.27 |
| Molecular Formula: | C14 H12 N4 O7 |
| Smiles: | COC(C1C2C(C(N(C2=O)c2ccc(cc2[N+]([O-])=O)OC)=O)NN=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.3579 |
| logD: | -0.8893 |
| logSw: | -2.0904 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.652 |
| InChI Key: | SOOULXXOYSGMCC-UHFFFAOYSA-N |