1-(3-bromobenzoyl)-5-(2-chlorophenyl)-3-(2,3-dimethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(3-bromobenzoyl)-5-(2-chlorophenyl)-3-(2,3-dimethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
1-(3-bromobenzoyl)-5-(2-chlorophenyl)-3-(2,3-dimethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | K257-0072 |
| Compound Name: | 1-(3-bromobenzoyl)-5-(2-chlorophenyl)-3-(2,3-dimethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione |
| Molecular Weight: | 570.83 |
| Molecular Formula: | C26 H21 Br Cl N3 O5 |
| Smiles: | COc1cccc(C2C3C(C(N(C3=O)c3ccccc3[Cl])=O)N(C(c3cccc(c3)[Br])=O)N2)c1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6778 |
| logD: | 3.6757 |
| logSw: | -4.0947 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.227 |
| InChI Key: | KLTIBQPMMDFTBO-UHFFFAOYSA-N |