1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-3-(4-methoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-3-(4-methoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-3-(4-methoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | K257-0006 |
| Compound Name: | 1-(3-bromobenzoyl)-5-(4-ethoxyphenyl)-3-(4-methoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione |
| Molecular Weight: | 550.41 |
| Molecular Formula: | C27 H24 Br N3 O5 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C(c3ccc(cc3)OC)NN(C2C1=O)C(c1cccc(c1)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7045 |
| logD: | 3.7033 |
| logSw: | -4.0884 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.848 |
| InChI Key: | SFFFAEYLHUUQFM-UHFFFAOYSA-N |