ethyl 1-({4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetyl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-({4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetyl)piperidine-4-carboxylate
ethyl 1-({4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetyl)piperidine-4-carboxylate
Compound characteristics
Compound ID: | C265-0505 |
Compound Name: | ethyl 1-({4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetyl)piperidine-4-carboxylate |
Molecular Weight: | 584.67 |
Molecular Formula: | C29 H33 F N4 O6 S |
Smiles: | CCOC(C1CCN(CC1)C(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.2383 |
logD: | 2.2383 |
logSw: | -2.8252 |
Hydrogen bond acceptors count: | 12 |
Polar surface area: | 88.017 |
InChI Key: | LKLYZVVYYAEVON-UHFFFAOYSA-N |