4-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1-methylquinolin-2(1H)-one
Chemical Structure Depiction of
4-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1-methylquinolin-2(1H)-one
4-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1-methylquinolin-2(1H)-one
Compound characteristics
| Compound ID: | C463-0085 |
| Compound Name: | 4-({2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-1-methylquinolin-2(1H)-one |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C22 H22 F N3 O2 S |
| Smiles: | CN1C(C=C(c2ccccc12)SCC(N1CCN(CC1)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8383 |
| logD: | 2.8383 |
| logSw: | -3.6564 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.037 |
| InChI Key: | CMVQMFSEZVJMHI-UHFFFAOYSA-N |