4-[4-(4-bromophenyl)-6-oxo-3-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid
Chemical Structure Depiction of
4-[4-(4-bromophenyl)-6-oxo-3-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid
4-[4-(4-bromophenyl)-6-oxo-3-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid
Compound characteristics
| Compound ID: | C390-0171 |
| Compound Name: | 4-[4-(4-bromophenyl)-6-oxo-3-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid |
| Molecular Weight: | 474.31 |
| Molecular Formula: | C24 H16 Br N3 O3 |
| Smiles: | c1ccc(cc1)c1c2C(c3ccc(cc3)[Br])N(C(c2[nH]n1)=O)c1ccc(cc1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2646 |
| logD: | 2.8694 |
| logSw: | -5.4351 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.935 |
| InChI Key: | NXYADJMTIIHYSA-JOCHJYFZSA-N |