ethyl 1-(4-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
ethyl 1-(4-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 2491-0786 |
| Compound Name: | ethyl 1-(4-chlorophenyl)-5-(4-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate |
| Molecular Weight: | 411.84 |
| Molecular Formula: | C21 H18 Cl N3 O4 |
| Smiles: | CCOC(C1C2C(C(N(C2=O)c2ccc(C)cc2)=O)N(c2ccc(cc2)[Cl])N=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5344 |
| logD: | 3.4235 |
| logSw: | -3.6185 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.473 |
| InChI Key: | ZOHMXAABPOPDBN-UHFFFAOYSA-N |