1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 6466-0277 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 459.49 |
| Molecular Formula: | C23 H20 F3 N3 O2 S |
| Smiles: | COc1ccc(cc1)c1cc(C(F)(F)F)nc(n1)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7256 |
| logD: | 5.7256 |
| logSw: | -5.3489 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.589 |
| InChI Key: | AKMMVPAQJHUGCQ-UHFFFAOYSA-N |