N-(4-bromophenyl)-N-methyl-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-(4-bromophenyl)-N-methyl-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-(4-bromophenyl)-N-methyl-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C197-0322 |
| Compound Name: | N-(4-bromophenyl)-N-methyl-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 442.31 |
| Molecular Formula: | C21 H20 Br N3 O3 |
| Smiles: | CN(C(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.581 |
| logD: | 1.581 |
| logSw: | -2.4889 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.107 |
| InChI Key: | VEJZWGOTMXDIPO-UHFFFAOYSA-N |