ethyl 1-(4-methylphenyl)-5-(2-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-methylphenyl)-5-(2-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
ethyl 1-(4-methylphenyl)-5-(2-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8008-8784 |
| Compound Name: | ethyl 1-(4-methylphenyl)-5-(2-nitrophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 422.4 |
| Molecular Formula: | C21 H18 N4 O6 |
| Smiles: | CCOC(C1C2C(C(N(C2=O)c2ccccc2[N+]([O-])=O)=O)N(c2ccc(C)cc2)N=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8675 |
| logD: | 2.8187 |
| logSw: | -3.2159 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.253 |
| InChI Key: | IJHLTWABXCIDLM-UHFFFAOYSA-N |