3-{6,7-diethoxy-3-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}benzonitrile
Chemical Structure Depiction of
3-{6,7-diethoxy-3-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}benzonitrile
3-{6,7-diethoxy-3-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}benzonitrile
Compound characteristics
| Compound ID: | D145-2358 |
| Compound Name: | 3-{6,7-diethoxy-3-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}benzonitrile |
| Molecular Weight: | 480.49 |
| Molecular Formula: | C27 H23 F3 N2 O3 |
| Smiles: | CCOc1cc2CC(N(C(c3ccc(cc3)C(F)(F)F)c2cc1OCC)c1cccc(C#N)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8349 |
| logD: | 4.8349 |
| logSw: | -4.6746 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.794 |
| InChI Key: | UNVWLXAOGGBPIG-SANMLTNESA-N |