3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
Chemical Structure Depiction of
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one
Compound characteristics
| Compound ID: | 6466-1135 |
| Compound Name: | 3-{[4-(2H-1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one |
| Molecular Weight: | 487.5 |
| Molecular Formula: | C24 H20 F3 N3 O3 S |
| Smiles: | C(CSc1nc(cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2)C(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3482 |
| logD: | 5.3482 |
| logSw: | -5.8489 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.158 |
| InChI Key: | UDPHEHWRFRIOHC-UHFFFAOYSA-N |