1-(3-bromobenzoyl)-3-(3,4-dimethoxyphenyl)-5-(4-ethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(3-bromobenzoyl)-3-(3,4-dimethoxyphenyl)-5-(4-ethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
1-(3-bromobenzoyl)-3-(3,4-dimethoxyphenyl)-5-(4-ethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | K257-0022 |
| Compound Name: | 1-(3-bromobenzoyl)-3-(3,4-dimethoxyphenyl)-5-(4-ethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione |
| Molecular Weight: | 580.43 |
| Molecular Formula: | C28 H26 Br N3 O6 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C(c3ccc(c(c3)OC)OC)NN(C2C1=O)C(c1cccc(c1)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3542 |
| logD: | 3.3531 |
| logSw: | -3.699 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.565 |
| InChI Key: | XTHHBYJJFSQLMK-UHFFFAOYSA-N |