N-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C168-0053 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(1-oxoisoquinolin-2(1H)-yl)acetamide |
| Molecular Weight: | 438.91 |
| Molecular Formula: | C23 H23 Cl N4 O3 |
| Smiles: | C(C(N1CCN(CC1)c1cccc(c1)[Cl])=O)NC(CN1C=Cc2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1762 |
| logD: | 2.1761 |
| logSw: | -3.5107 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.806 |
| InChI Key: | NBJIVQSXOIUAOC-UHFFFAOYSA-N |