6,7-diethoxy-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroisoquinolin-3(2H)-one
Chemical Structure Depiction of
6,7-diethoxy-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroisoquinolin-3(2H)-one
6,7-diethoxy-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroisoquinolin-3(2H)-one
Compound characteristics
| Compound ID: | D145-2237 |
| Compound Name: | 6,7-diethoxy-1-(4-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroisoquinolin-3(2H)-one |
| Molecular Weight: | 473.47 |
| Molecular Formula: | C26 H23 F4 N O3 |
| Smiles: | CCOc1cc2CC(N(C(c3ccc(cc3)F)c2cc1OCC)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1735 |
| logD: | 5.1735 |
| logSw: | -5.1964 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.7379 |
| InChI Key: | BNGSNPUBLQYYMH-VWLOTQADSA-N |