ethyl 4-({N-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alanyl}amino)piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({N-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alanyl}amino)piperidine-1-carboxylate
ethyl 4-({N-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alanyl}amino)piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C066-2056 |
| Compound Name: | ethyl 4-({N-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alanyl}amino)piperidine-1-carboxylate |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C22 H28 N4 O5 |
| Smiles: | CCOC(N1CCC(CC1)NC(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3691 |
| logD: | 0.3691 |
| logSw: | -2.2651 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.971 |
| InChI Key: | NBBSQRKGEHUVLZ-UHFFFAOYSA-N |