N-(butan-2-yl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-(butan-2-yl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-(butan-2-yl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C197-0207 |
| Compound Name: | N-(butan-2-yl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 329.4 |
| Molecular Formula: | C18 H23 N3 O3 |
| Smiles: | CCC(C)NC(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5669 |
| logD: | 0.5669 |
| logSw: | -2.2419 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.179 |
| InChI Key: | HXALWJNKSKXPFC-ZDUSSCGKSA-N |