4-[5-(6-chloro-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 5959-0235 |
| Compound Name: | 4-[5-(6-chloro-2H-[1,3]dioxolo[4,5-g]quinolin-7-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 465.89 |
| Molecular Formula: | C24 H20 Cl N3 O5 |
| Smiles: | Cc1ccc(cc1)C1CC(c2cc3cc4c(cc3nc2[Cl])OCO4)N(C(CCC(O)=O)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3485 |
| logD: | 1.3991 |
| logSw: | -4.378 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.326 |
| InChI Key: | LIXTVBDZZPQGMI-IBGZPJMESA-N |