2-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}isoquinolin-1(2H)-one
2-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C066-1375 |
| Compound Name: | 2-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}isoquinolin-1(2H)-one |
| Molecular Weight: | 395.89 |
| Molecular Formula: | C22 H22 Cl N3 O2 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CN1C=Cc2ccccc2C1=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3273 |
| logD: | 3.3273 |
| logSw: | -3.7698 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.033 |
| InChI Key: | XGDOQAXVXIEHOM-UHFFFAOYSA-N |