4-[5-(2-chloro-6,7-dimethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[5-(2-chloro-6,7-dimethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
4-[5-(2-chloro-6,7-dimethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 4909-0086 |
| Compound Name: | 4-[5-(2-chloro-6,7-dimethoxyquinolin-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 467.91 |
| Molecular Formula: | C24 H22 Cl N3 O5 |
| Smiles: | COc1cc2cc(C3CC(c4ccccc4)=NN3C(CCC(O)=O)=O)c(nc2cc1OC)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5077 |
| logD: | 0.5583 |
| logSw: | -3.8913 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.472 |
| InChI Key: | XRWKKXSVNSMIBX-IBGZPJMESA-N |