1-(3-bromobenzoyl)-3-(3-chlorophenyl)-5-(4-ethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(3-bromobenzoyl)-3-(3-chlorophenyl)-5-(4-ethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
1-(3-bromobenzoyl)-3-(3-chlorophenyl)-5-(4-ethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | K257-0037 |
| Compound Name: | 1-(3-bromobenzoyl)-3-(3-chlorophenyl)-5-(4-ethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione |
| Molecular Weight: | 554.83 |
| Molecular Formula: | C26 H21 Br Cl N3 O4 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C(c3cccc(c3)[Cl])NN(C2C1=O)C(c1cccc(c1)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2946 |
| logD: | 4.2934 |
| logSw: | -4.564 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.304 |
| InChI Key: | HESLAXFJYDRETO-UHFFFAOYSA-N |