N-butyl-N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide
Chemical Structure Depiction of
N-butyl-N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide
N-butyl-N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide
Compound characteristics
| Compound ID: | C168-0071 |
| Compound Name: | N-butyl-N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide |
| Molecular Weight: | 315.37 |
| Molecular Formula: | C17 H21 N3 O3 |
| Smiles: | CCCCNC(CNC(CN1C=Cc2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.453 |
| logD: | 1.453 |
| logSw: | -2.4466 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.737 |
| InChI Key: | DKIQNMXNHGXJPV-UHFFFAOYSA-N |