4-[5-(3-bromophenyl)-3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[5-(3-bromophenyl)-3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
4-[5-(3-bromophenyl)-3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 2189-1242 |
| Compound Name: | 4-[5-(3-bromophenyl)-3-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 576.88 |
| Molecular Formula: | C29 H23 Br Cl N3 O3 |
| Smiles: | Cc1c(C2CC(c3cccc(c3)[Br])N(C(CCC(O)=O)=O)N=2)c(c2ccccc2)c2cc(ccc2n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7572 |
| logD: | 3.8078 |
| logSw: | -6.0518 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.879 |
| InChI Key: | ZTKBZPIYMFZPOU-VWLOTQADSA-N |