1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 6466-0383 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C22 H17 F4 N3 O S |
| Smiles: | C1CN(Cc2ccccc12)C(CSc1nc(cc(C(F)(F)F)n1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5587 |
| logD: | 5.5587 |
| logSw: | -5.9873 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.043 |
| InChI Key: | PUBABPVZWKEUCJ-UHFFFAOYSA-N |