methyl 4-[3-(4-bromophenyl)-5-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-(4-bromophenyl)-5-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
methyl 4-[3-(4-bromophenyl)-5-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
Compound characteristics
| Compound ID: | C390-0020 |
| Compound Name: | methyl 4-[3-(4-bromophenyl)-5-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate |
| Molecular Weight: | 522.78 |
| Molecular Formula: | C25 H17 Br Cl N3 O3 |
| Smiles: | COC(c1ccc(cc1)C1c2c(c3ccc(cc3)[Br])n[nH]c2C(N1c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2069 |
| logD: | 6.2069 |
| logSw: | -6.5485 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.701 |
| InChI Key: | YJUSXTIHESTBMD-HSZRJFAPSA-N |