[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]{5-[3-(trifluoromethyl)phenyl]thiophen-2-yl}methanone
Chemical Structure Depiction of
[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]{5-[3-(trifluoromethyl)phenyl]thiophen-2-yl}methanone
[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]{5-[3-(trifluoromethyl)phenyl]thiophen-2-yl}methanone
Compound characteristics
| Compound ID: | V014-3735 |
| Compound Name: | [1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]{5-[3-(trifluoromethyl)phenyl]thiophen-2-yl}methanone |
| Molecular Weight: | 576.01 |
| Molecular Formula: | C29 H22 Cl F4 N O3 S |
| Smiles: | COc1cc2CCN(C(c2cc1OC)c1c(cccc1[Cl])F)C(c1ccc(c2cccc(c2)C(F)(F)F)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3872 |
| logD: | 7.3872 |
| logSw: | -6.5261 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.869 |
| InChI Key: | DUJMCENRSSIFRL-MHZLTWQESA-N |