N-{3-[ethyl(3-methylphenyl)amino]propyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C197-0282 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C26 H32 N4 O3 |
| Smiles: | CCN(CCCNC(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.9613 |
| logD: | 1.929 |
| logSw: | -2.8985 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.297 |
| InChI Key: | PFZIHTSDZTYNCL-UHFFFAOYSA-N |