N-(2,4-difluorophenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
N-(2,4-difluorophenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Compound characteristics
Compound ID: | C265-0490 |
Compound Name: | N-(2,4-difluorophenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide |
Molecular Weight: | 556.56 |
Molecular Formula: | C27 H23 F3 N4 O4 S |
Smiles: | C1CN(CCN1c1ccccc1F)S(C1=CN(CC(Nc2ccc(cc2F)F)=O)C(c2ccccc12)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.292 |
logD: | 3.2859 |
logSw: | -3.8466 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.322 |
InChI Key: | PCRZSVGPUVZTSK-UHFFFAOYSA-N |