1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
Compound ID: | 7213-0090 |
Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one |
Molecular Weight: | 429.46 |
Molecular Formula: | C22 H18 F3 N3 O S |
Smiles: | C1CN(Cc2ccccc12)C(CSc1nc(cc(C(F)(F)F)n1)c1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 5.4246 |
logD: | 5.4246 |
logSw: | -5.7748 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 33.043 |
InChI Key: | DPKMRJUBDFKNID-UHFFFAOYSA-N |