methyl 4-{2-[(2-ethyl-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(2-ethyl-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetamido}benzoate
methyl 4-{2-[(2-ethyl-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetamido}benzoate
Compound characteristics
| Compound ID: | G856-9272 |
| Compound Name: | methyl 4-{2-[(2-ethyl-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetamido}benzoate |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C21 H20 N2 O5 |
| Smiles: | CCN1C=Cc2c(cccc2OCC(Nc2ccc(cc2)C(=O)OC)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.7408 |
| logD: | 2.7407 |
| logSw: | -3.4154 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.315 |
| InChI Key: | YRIBALZOURECGT-UHFFFAOYSA-N |