methyl 6a-(3-nitrophenyl)-4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 6a-(3-nitrophenyl)-4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
methyl 6a-(3-nitrophenyl)-4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8007-2290 |
| Compound Name: | methyl 6a-(3-nitrophenyl)-4,6-dioxo-5-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 394.34 |
| Molecular Formula: | C19 H14 N4 O6 |
| Smiles: | COC(C1C2C(N(C(C2(c2cccc(c2)[N+]([O-])=O)NN=1)=O)c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.105 |
| logD: | -1.3437 |
| logSw: | -2.8718 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.73 |
| InChI Key: | IHDJIERXLABMQW-UHFFFAOYSA-N |