methyl 4-[3-(4-bromophenyl)-5-(4-methylphenyl)-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-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
methyl 4-[3-(4-bromophenyl)-5-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate
Compound characteristics
| Compound ID: | C390-0303 |
| Compound Name: | methyl 4-[3-(4-bromophenyl)-5-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-4-yl]benzoate |
| Molecular Weight: | 502.37 |
| Molecular Formula: | C26 H20 Br N3 O3 |
| Smiles: | Cc1ccc(cc1)N1C(c2ccc(cc2)C(=O)OC)c2c(c3ccc(cc3)[Br])n[nH]c2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0356 |
| logD: | 6.0355 |
| logSw: | -5.6728 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.701 |
| InChI Key: | VQWXKMXFCKBNMN-XMMPIXPASA-N |