4-[5-(6-chloro-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[5-(6-chloro-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
4-[5-(6-chloro-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 5959-0232 |
| Compound Name: | 4-[5-(6-chloro-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 451.87 |
| Molecular Formula: | C23 H18 Cl N3 O5 |
| Smiles: | C(CC(N1C(CC(c2ccccc2)=N1)c1cc2cc3c(cc2nc1[Cl])OCO3)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8201 |
| logD: | 0.8707 |
| logSw: | -4.1692 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.326 |
| InChI Key: | YVAQHSJQGDGHAL-SFHVURJKSA-N |