N-(4-nitrophenyl)-2-[(1-oxo-2-propyl-1,2-dihydroisoquinolin-5-yl)oxy]acetamide
Chemical Structure Depiction of
N-(4-nitrophenyl)-2-[(1-oxo-2-propyl-1,2-dihydroisoquinolin-5-yl)oxy]acetamide
N-(4-nitrophenyl)-2-[(1-oxo-2-propyl-1,2-dihydroisoquinolin-5-yl)oxy]acetamide
Compound characteristics
| Compound ID: | G856-9317 |
| Compound Name: | N-(4-nitrophenyl)-2-[(1-oxo-2-propyl-1,2-dihydroisoquinolin-5-yl)oxy]acetamide |
| Molecular Weight: | 381.39 |
| Molecular Formula: | C20 H19 N3 O5 |
| Smiles: | CCCN1C=Cc2c(cccc2OCC(Nc2ccc(cc2)[N+]([O-])=O)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.0756 |
| logD: | 3.074 |
| logSw: | -3.7145 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.776 |
| InChI Key: | NRCYBVYFJXJLKH-UHFFFAOYSA-N |