2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}isoquinolin-1(2H)-one
2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C066-1391 |
| Compound Name: | 2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}isoquinolin-1(2H)-one |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C21 H20 N4 O4 |
| Smiles: | C1CN(CCN1C(CN1C=Cc2ccccc2C1=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0919 |
| logD: | 2.0919 |
| logSw: | -2.9253 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.715 |
| InChI Key: | BPHYZAXRYCRJME-UHFFFAOYSA-N |