[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-2(1H)-yl]{4-[(trifluoromethyl)sulfanyl]phenyl}methanone
Chemical Structure Depiction of
[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-2(1H)-yl]{4-[(trifluoromethyl)sulfanyl]phenyl}methanone
[1-(4-fluorophenyl)-3,4-dihydroisoquinolin-2(1H)-yl]{4-[(trifluoromethyl)sulfanyl]phenyl}methanone
Compound characteristics
| Compound ID: | V031-0803 |
| Compound Name: | [1-(4-fluorophenyl)-3,4-dihydroisoquinolin-2(1H)-yl]{4-[(trifluoromethyl)sulfanyl]phenyl}methanone |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C23 H17 F4 N O S |
| Smiles: | C1CN(C(c2ccc(cc2)F)c2ccccc12)C(c1ccc(cc1)SC(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9289 |
| logD: | 6.9289 |
| logSw: | -6.2443 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 15.8613 |
| InChI Key: | MGGGLFKWRDKNIR-NRFANRHFSA-N |