2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methyl-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methyl-N-[3-(trifluoromethyl)phenyl]acetamide
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methyl-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C265-0607 |
| Compound Name: | 2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methyl-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 602.61 |
| Molecular Formula: | C29 H26 F4 N4 O4 S |
| Smiles: | CN(C(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.7638 |
| logD: | 3.7638 |
| logSw: | -4.0359 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.984 |
| InChI Key: | LXJMUVKUZWJZPP-UHFFFAOYSA-N |