1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 6466-0845 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 419.42 |
| Molecular Formula: | C20 H16 F3 N3 O2 S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1nc(cc(C(F)(F)F)n1)c1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6495 |
| logD: | 4.6495 |
| logSw: | -4.6326 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.624 |
| InChI Key: | JXSNAYBCMUPFBX-UHFFFAOYSA-N |