4-[5-(2-chloroquinolin-3-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[5-(2-chloroquinolin-3-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
4-[5-(2-chloroquinolin-3-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 5267-1724 |
| Compound Name: | 4-[5-(2-chloroquinolin-3-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid |
| Molecular Weight: | 413.88 |
| Molecular Formula: | C20 H16 Cl N3 O3 S |
| Smiles: | C(CC(N1C(CC(c2cccs2)=N1)c1cc2ccccc2nc1[Cl])=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7001 |
| logD: | 0.7507 |
| logSw: | -4.0703 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.229 |
| InChI Key: | RTBLURVBTIUEJX-INIZCTEOSA-N |