2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide
2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide
Compound characteristics
Compound ID: | G856-9451 |
Compound Name: | 2-{[2-(2-ethoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}-N-(3-nitrophenyl)acetamide |
Molecular Weight: | 411.41 |
Molecular Formula: | C21 H21 N3 O6 |
Smiles: | CCOCCN1C=Cc2c(cccc2OCC(Nc2cccc(c2)[N+]([O-])=O)=O)C1=O |
Stereo: | ACHIRAL |
logP: | 2.7755 |
logD: | 2.7747 |
logSw: | -3.3613 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 87.754 |
InChI Key: | NJJMFYMUTLIVNB-UHFFFAOYSA-N |