ethyl 1-{N-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alanyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{N-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alanyl}piperidine-4-carboxylate
ethyl 1-{N-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alanyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | C197-0209 |
| Compound Name: | ethyl 1-{N-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alanyl}piperidine-4-carboxylate |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C22 H27 N3 O5 |
| Smiles: | CCOC(C1CCN(CC1)C(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3625 |
| logD: | 0.3625 |
| logSw: | -2.2836 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.14 |
| InChI Key: | ZALWTYLFVRWRJL-UHFFFAOYSA-N |