1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-2-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-2-(4-fluorophenyl)ethan-1-one
1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-2-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | K407-0649 |
| Compound Name: | 1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-2-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C28 H30 F N O4 |
| Smiles: | Cc1cc(C)cc(c1)OCC1c2cc(c(cc2CCN1C(Cc1ccc(cc1)F)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1677 |
| logD: | 5.1677 |
| logSw: | -5.1176 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.046 |
| InChI Key: | IQJNVQXZBPKCJS-VWLOTQADSA-N |