1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propan-1-one
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propan-1-one
Compound characteristics
| Compound ID: | 6466-0576 |
| Compound Name: | 1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propan-1-one |
| Molecular Weight: | 443.49 |
| Molecular Formula: | C23 H20 F3 N3 O S |
| Smiles: | CC(C(N1CCc2ccccc2C1)=O)Sc1nc(cc(C(F)(F)F)n1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9735 |
| logD: | 5.9735 |
| logSw: | -5.5261 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.57 |
| InChI Key: | VFCPIADYIAKBPO-HNNXBMFYSA-N |