2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-[4-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-[4-(trifluoromethyl)phenyl]acetamide
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-[4-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C265-0500 |
| Compound Name: | 2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-[4-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 588.58 |
| Molecular Formula: | C28 H24 F4 N4 O4 S |
| Smiles: | C1CN(CCN1c1ccccc1F)S(C1=CN(CC(Nc2ccc(cc2)C(F)(F)F)=O)C(c2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2488 |
| logD: | 4.2488 |
| logSw: | -4.3373 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.02 |
| InChI Key: | KNWXJIQJSBOJBN-UHFFFAOYSA-N |