1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 6466-0721 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 435.49 |
| Molecular Formula: | C20 H16 F3 N3 O S2 |
| Smiles: | C1CN(Cc2ccccc12)C(CSc1nc(cc(C(F)(F)F)n1)c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1737 |
| logD: | 5.1737 |
| logSw: | -5.4266 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.061 |
| InChI Key: | UNDOKYCXEFAYET-UHFFFAOYSA-N |