[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]{4-[(trifluoromethyl)sulfanyl]phenyl}methanone
Chemical Structure Depiction of
[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]{4-[(trifluoromethyl)sulfanyl]phenyl}methanone
[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]{4-[(trifluoromethyl)sulfanyl]phenyl}methanone
Compound characteristics
| Compound ID: | V004-4782 |
| Compound Name: | [1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]{4-[(trifluoromethyl)sulfanyl]phenyl}methanone |
| Molecular Weight: | 491.5 |
| Molecular Formula: | C25 H21 F4 N O3 S |
| Smiles: | COc1cc2CCN(C(c3ccc(cc3)F)c2cc1OC)C(c1ccc(cc1)SC(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0788 |
| logD: | 6.0788 |
| logSw: | -5.5747 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.1221 |
| InChI Key: | HMEAIUIMIVJCTM-QHCPKHFHSA-N |