N-(4-chloro-2-methoxy-5-methylphenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-(4-chloro-2-methoxy-5-methylphenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-(4-chloro-2-methoxy-5-methylphenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C197-0279 |
| Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 427.89 |
| Molecular Formula: | C22 H22 Cl N3 O4 |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.222 |
| logD: | 2.2176 |
| logSw: | -3.4597 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.076 |
| InChI Key: | BEKKCUUQDLMAKV-UHFFFAOYSA-N |