N-(4-nitrophenyl)-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
Chemical Structure Depiction of
N-(4-nitrophenyl)-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
N-(4-nitrophenyl)-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
Compound characteristics
| Compound ID: | G856-9367 |
| Compound Name: | N-(4-nitrophenyl)-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide |
| Molecular Weight: | 379.37 |
| Molecular Formula: | C20 H17 N3 O5 |
| Smiles: | C=CCN1C=Cc2c(cccc2OCC(Nc2ccc(cc2)[N+]([O-])=O)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.8136 |
| logD: | 2.812 |
| logSw: | -3.7265 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.776 |
| InChI Key: | BESHASQVUFEEMV-UHFFFAOYSA-N |