2-[(7-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}acetamide
Chemical Structure Depiction of
2-[(7-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}acetamide
2-[(7-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}acetamide
Compound characteristics
| Compound ID: | C463-0442 |
| Compound Name: | 2-[(7-chloro-1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}acetamide |
| Molecular Weight: | 503.04 |
| Molecular Formula: | C25 H28 Cl F N4 O2 S |
| Smiles: | CN1C(C=C(c2ccc(cc12)[Cl])SCC(NCCCN1CCN(CC1)c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2014 |
| logD: | 2.8702 |
| logSw: | -3.7598 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.639 |
| InChI Key: | KNUBOZUJHMOUNM-UHFFFAOYSA-N |