methyl 5-(2-chlorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-(2-chlorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
methyl 5-(2-chlorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 3849-0161 |
| Compound Name: | methyl 5-(2-chlorophenyl)-6a-methyl-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 321.72 |
| Molecular Formula: | C14 H12 Cl N3 O4 |
| Smiles: | CC12C(C(C(=O)OC)=NN2)C(N(C1=O)c1ccccc1[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4188 |
| logD: | 0.5634 |
| logSw: | -2.3648 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.818 |
| InChI Key: | RANOWIOEBUKFBJ-UHFFFAOYSA-N |