{1-[(2-chloro-6-fluorophenyl)methanesulfonyl]piperidin-4-yl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
{1-[(2-chloro-6-fluorophenyl)methanesulfonyl]piperidin-4-yl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
{1-[(2-chloro-6-fluorophenyl)methanesulfonyl]piperidin-4-yl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
Compound ID: | D356-2196 |
Compound Name: | {1-[(2-chloro-6-fluorophenyl)methanesulfonyl]piperidin-4-yl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone |
Molecular Weight: | 450.96 |
Molecular Formula: | C22 H24 Cl F N2 O3 S |
Smiles: | C1CN(CCC1C(N1CCc2ccccc2C1)=O)S(Cc1c(cccc1[Cl])F)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.7335 |
logD: | 3.7335 |
logSw: | -4.1603 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 48.154 |
InChI Key: | ADGGCFSQIWVVGX-UHFFFAOYSA-N |