N-(3-chloro-4-methoxyphenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-(3-chloro-4-methoxyphenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C197-0192 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 413.86 |
| Molecular Formula: | C21 H20 Cl N3 O4 |
| Smiles: | COc1ccc(cc1[Cl])NC(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7817 |
| logD: | 1.7811 |
| logSw: | -3.0967 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.774 |
| InChI Key: | ZPZOMOQXOCOAKP-UHFFFAOYSA-N |