N-butyl-N-ethyl-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-butyl-N-ethyl-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
N-butyl-N-ethyl-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C265-0547 |
| Compound Name: | N-butyl-N-ethyl-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide |
| Molecular Weight: | 528.65 |
| Molecular Formula: | C27 H33 F N4 O4 S |
| Smiles: | CCCCN(CC)C(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2042 |
| logD: | 3.2042 |
| logSw: | -3.7571 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.8 |
| InChI Key: | CXSWRDSQPGYLEW-UHFFFAOYSA-N |