methyl 4-[1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl]benzoate
Chemical Structure Depiction of
methyl 4-[1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl]benzoate
methyl 4-[1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl]benzoate
Compound characteristics
| Compound ID: | K257-0069 |
| Compound Name: | methyl 4-[1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrazol-3-yl]benzoate |
| Molecular Weight: | 578.42 |
| Molecular Formula: | C28 H24 Br N3 O6 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C(c3ccc(cc3)C(=O)OC)NN(C2C1=O)C(c1cccc(c1)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8129 |
| logD: | 3.8117 |
| logSw: | -4.116 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.478 |
| InChI Key: | JJKHRUMLKKOJSF-UHFFFAOYSA-N |