N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-[(2-phenylcyclopentyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-[(2-phenylcyclopentyl)methyl]-beta-alaninamide
N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-[(2-phenylcyclopentyl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C066-2075 |
| Compound Name: | N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-[(2-phenylcyclopentyl)methyl]-beta-alaninamide |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C26 H29 N3 O3 |
| Smiles: | C1CC(CNC(CCNC(CN2C=Cc3ccccc3C2=O)=O)=O)C(C1)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9334 |
| logD: | 1.9334 |
| logSw: | -3.0388 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.752 |
| InChI Key: | GTJKIXFJIJJNLT-UHFFFAOYSA-N |