N-(4-bromo-2-methylphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
N-(4-bromo-2-methylphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C265-0501 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide |
| Molecular Weight: | 613.51 |
| Molecular Formula: | C28 H26 Br F N4 O4 S |
| Smiles: | Cc1cc(ccc1NC(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1943 |
| logD: | 4.1941 |
| logSw: | -4.2107 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.322 |
| InChI Key: | GRVNTYMLBUTXDT-UHFFFAOYSA-N |