1-(3-bromobenzoyl)-3-(2-fluorophenyl)-5-(3-methylphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(3-bromobenzoyl)-3-(2-fluorophenyl)-5-(3-methylphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
1-(3-bromobenzoyl)-3-(2-fluorophenyl)-5-(3-methylphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C171-0429 |
| Compound Name: | 1-(3-bromobenzoyl)-3-(2-fluorophenyl)-5-(3-methylphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione |
| Molecular Weight: | 508.35 |
| Molecular Formula: | C25 H19 Br F N3 O3 |
| Smiles: | Cc1cccc(c1)N1C(C2C(c3ccccc3F)NN(C2C1=O)C(c1cccc(c1)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9571 |
| logD: | 3.9559 |
| logSw: | -4.1162 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.18 |
| InChI Key: | BBCUETAIROSFIJ-UHFFFAOYSA-N |