2-[(2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]-N-(3-nitrophenyl)acetamide
2-[(2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | G856-9220 |
| Compound Name: | 2-[(2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 353.33 |
| Molecular Formula: | C18 H15 N3 O5 |
| Smiles: | CN1C=Cc2c(cccc2OCC(Nc2cccc(c2)[N+]([O-])=O)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.0447 |
| logD: | 2.0439 |
| logSw: | -3.092 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.513 |
| InChI Key: | ZIFINGUBSZCTSS-UHFFFAOYSA-N |