4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 3740-0578 |
| Compound Name: | 4-[3-(6-bromo-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-5-(4-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 589.4 |
| Molecular Formula: | C28 H21 Br N4 O6 |
| Smiles: | C(CC(N1C(CC(C2=C(c3ccccc3)c3cc(ccc3NC2=O)[Br])=N1)c1ccc(cc1)[N+]([O-])=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.839 |
| logD: | 1.8896 |
| logSw: | -4.6307 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.23 |
| InChI Key: | PGMWDMLBQGYSIS-HSZRJFAPSA-N |