4-[3-(4-methylphenyl)-4-(3-nitrophenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid
Chemical Structure Depiction of
4-[3-(4-methylphenyl)-4-(3-nitrophenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid
4-[3-(4-methylphenyl)-4-(3-nitrophenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid
Compound characteristics
| Compound ID: | C390-0197 |
| Compound Name: | 4-[3-(4-methylphenyl)-4-(3-nitrophenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl]benzoic acid |
| Molecular Weight: | 454.44 |
| Molecular Formula: | C25 H18 N4 O5 |
| Smiles: | Cc1ccc(cc1)c1c2C(c3cccc(c3)[N+]([O-])=O)N(C(c2[nH]n1)=O)c1ccc(cc1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8315 |
| logD: | 2.4363 |
| logSw: | -4.4225 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.317 |
| InChI Key: | ONJNAIYRFSGJRO-HSZRJFAPSA-N |