1-(3-bromobenzoyl)-5-(2,4-dichlorophenyl)-3-(2-ethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
1-(3-bromobenzoyl)-5-(2,4-dichlorophenyl)-3-(2-ethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
1-(3-bromobenzoyl)-5-(2,4-dichlorophenyl)-3-(2-ethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Compound characteristics
Compound ID: | K257-0075 |
Compound Name: | 1-(3-bromobenzoyl)-5-(2,4-dichlorophenyl)-3-(2-ethoxyphenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione |
Molecular Weight: | 589.27 |
Molecular Formula: | C26 H20 Br Cl2 N3 O4 |
Smiles: | CCOc1ccccc1C1C2C(C(N(C2=O)c2ccc(cc2[Cl])[Cl])=O)N(C(c2cccc(c2)[Br])=O)N1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.0968 |
logD: | 5.0948 |
logSw: | -5.4922 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.09 |
InChI Key: | DEHVEXZFSINEGX-UHFFFAOYSA-N |