1-(3-bromobenzoyl)-5-(2,4-dichlorophenyl)-3-(2,5-dimethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(3-bromobenzoyl)-5-(2,4-dichlorophenyl)-3-(2,5-dimethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
1-(3-bromobenzoyl)-5-(2,4-dichlorophenyl)-3-(2,5-dimethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Compound characteristics
Compound ID: | K257-0057 |
Compound Name: | 1-(3-bromobenzoyl)-5-(2,4-dichlorophenyl)-3-(2,5-dimethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione |
Molecular Weight: | 605.27 |
Molecular Formula: | C26 H20 Br Cl2 N3 O5 |
Smiles: | COc1ccc(c(c1)C1C2C(C(N(C2=O)c2ccc(cc2[Cl])[Cl])=O)N(C(c2cccc(c2)[Br])=O)N1)OC |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.735 |
logD: | 4.733 |
logSw: | -4.9813 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.054 |
InChI Key: | AENSTMZWOKUDJL-UHFFFAOYSA-N |