N-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(3-methyl-1-oxoisoquinolin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(3-methyl-1-oxoisoquinolin-2(1H)-yl)acetamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(3-methyl-1-oxoisoquinolin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C115-0053 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(3-methyl-1-oxoisoquinolin-2(1H)-yl)acetamide |
| Molecular Weight: | 452.94 |
| Molecular Formula: | C24 H25 Cl N4 O3 |
| Smiles: | CC1=Cc2ccccc2C(N1CC(NCC(N1CCN(CC1)c1cccc(c1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8354 |
| logD: | 2.8354 |
| logSw: | -3.7043 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.28 |
| InChI Key: | TXLPUBSTTXHQRR-UHFFFAOYSA-N |