N-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
N-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C197-0222 |
| Compound Name: | N-{3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropyl}-2-(1-oxoisoquinolin-2(1H)-yl)acetamide |
| Molecular Weight: | 463.49 |
| Molecular Formula: | C24 H25 N5 O5 |
| Smiles: | C(CNC(CN1C=Cc2ccccc2C1=O)=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1324 |
| logD: | 1.1324 |
| logSw: | -2.4997 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.029 |
| InChI Key: | BSZWRADQKOTIPF-UHFFFAOYSA-N |