1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-methylbut-2-en-1-one
Chemical Structure Depiction of
1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-methylbut-2-en-1-one
1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-methylbut-2-en-1-one
Compound characteristics
| Compound ID: | V003-2635 |
| Compound Name: | 1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-methylbut-2-en-1-one |
| Molecular Weight: | 419.44 |
| Molecular Formula: | C23 H24 F3 N O3 |
| Smiles: | CC(C)=CC(N1CCc2cc(c(cc2C1c1cccc(c1)C(F)(F)F)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8765 |
| logD: | 4.8765 |
| logSw: | -4.7095 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.8663 |
| InChI Key: | WEELMMSPQSIQFZ-QFIPXVFZSA-N |