N-cyclohexyl-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-cyclohexyl-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
N-cyclohexyl-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C265-0484 |
| Compound Name: | N-cyclohexyl-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide |
| Molecular Weight: | 526.63 |
| Molecular Formula: | C27 H31 F N4 O4 S |
| Smiles: | C1CCC(CC1)NC(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1751 |
| logD: | 3.1751 |
| logSw: | -3.8201 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.067 |
| InChI Key: | QFTQFFDYACEPRM-UHFFFAOYSA-N |