benzyl 5-(4-fluorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
benzyl 5-(4-fluorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
benzyl 5-(4-fluorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8017-0102 |
| Compound Name: | benzyl 5-(4-fluorophenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 367.33 |
| Molecular Formula: | C19 H14 F N3 O4 |
| Smiles: | C(c1ccccc1)OC(C1C2C(C(N(C2=O)c2ccc(cc2)F)=O)NN=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7299 |
| logD: | 1.5144 |
| logSw: | -1.8416 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.012 |
| InChI Key: | KBHHTOSFOTZBJL-UHFFFAOYSA-N |