methyl 5-(5-chloro-2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-(5-chloro-2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
methyl 5-(5-chloro-2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8016-1013 |
| Compound Name: | methyl 5-(5-chloro-2-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 337.72 |
| Molecular Formula: | C14 H12 Cl N3 O5 |
| Smiles: | COC(C1C2C(C(N(C2=O)c2cc(ccc2OC)[Cl])=O)NN=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6663 |
| logD: | 0.3304 |
| logSw: | -2.4462 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.658 |
| InChI Key: | POCDZPDYEBDKPT-UHFFFAOYSA-N |