2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(4-nitrophenyl)acetamide
2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | G856-9452 |
| Compound Name: | 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 411.41 |
| Molecular Formula: | C21 H21 N3 O6 |
| Smiles: | CCOCCN1C=Cc2c(cccc2OCC(Nc2ccc(cc2)[N+]([O-])=O)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.6334 |
| logD: | 2.6318 |
| logSw: | -3.3501 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.754 |
| InChI Key: | NBFPNLSOWDQROF-UHFFFAOYSA-N |