N-(2-methoxy-5-nitrophenyl)-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
N-(2-methoxy-5-nitrophenyl)-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C066-1037 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-2-(1-oxoisoquinolin-2(1H)-yl)acetamide |
| Molecular Weight: | 353.33 |
| Molecular Formula: | C18 H15 N3 O5 |
| Smiles: | COc1ccc(cc1NC(CN1C=Cc2ccccc2C1=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0513 |
| logD: | 2.0368 |
| logSw: | -3.2176 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.145 |
| InChI Key: | GLLWBTCBVMSCQC-UHFFFAOYSA-N |