N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C197-0346 |
| Compound Name: | N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-2-(1-oxoisoquinolin-2(1H)-yl)acetamide |
| Molecular Weight: | 466.97 |
| Molecular Formula: | C25 H27 Cl N4 O3 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.3678 |
| logD: | 2.3678 |
| logSw: | -3.5622 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.346 |
| InChI Key: | LSWYWHLVVLNARI-UHFFFAOYSA-N |