N-(4-bromo-2-methylphenyl)-N~2~-[(3-methyl-1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-N~2~-[(3-methyl-1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide
N-(4-bromo-2-methylphenyl)-N~2~-[(3-methyl-1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide
Compound characteristics
| Compound ID: | C115-0037 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-N~2~-[(3-methyl-1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide |
| Molecular Weight: | 442.31 |
| Molecular Formula: | C21 H20 Br N3 O3 |
| Smiles: | CC1=Cc2ccccc2C(N1CC(NCC(Nc1ccc(cc1C)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4547 |
| logD: | 3.4545 |
| logSw: | -3.7534 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.078 |
| InChI Key: | BTBIIUUFJDSZCY-UHFFFAOYSA-N |