1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | K257-0024 |
| Compound Name: | 1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione |
| Molecular Weight: | 610.46 |
| Molecular Formula: | C29 H28 Br N3 O7 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C(c3ccc(c(c3OC)OC)OC)NN(C2C1=O)C(c1cccc(c1)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6 |
| logD: | 3.5988 |
| logSw: | -3.8125 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.368 |
| InChI Key: | PTFHROUNDIADDO-UHFFFAOYSA-N |