4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 4909-0080 |
| Compound Name: | 4-[5-(7-chloro-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 465.89 |
| Molecular Formula: | C24 H20 Cl N3 O5 |
| Smiles: | C(CC(N1C(CC(c2ccccc2)=N1)c1cc2cc3c(cc2nc1[Cl])OCCO3)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7453 |
| logD: | -0.2041 |
| logSw: | -3.3781 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.034 |
| InChI Key: | PALSTJODZCAVEM-IBGZPJMESA-N |