4-{4-[4-(methoxycarbonyl)phenyl]-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}benzoic acid
Chemical Structure Depiction of
4-{4-[4-(methoxycarbonyl)phenyl]-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}benzoic acid
4-{4-[4-(methoxycarbonyl)phenyl]-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}benzoic acid
Compound characteristics
| Compound ID: | C390-0207 |
| Compound Name: | 4-{4-[4-(methoxycarbonyl)phenyl]-3-(4-methylphenyl)-6-oxo-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-yl}benzoic acid |
| Molecular Weight: | 467.48 |
| Molecular Formula: | C27 H21 N3 O5 |
| Smiles: | Cc1ccc(cc1)c1c2C(c3ccc(cc3)C(=O)OC)N(C(c2[nH]n1)=O)c1ccc(cc1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0499 |
| logD: | 2.6547 |
| logSw: | -4.4712 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.109 |
| InChI Key: | CALYJMXHYSTCDZ-DEOSSOPVSA-N |