1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-3-phenylprop-2-en-1-one
Chemical Structure Depiction of
1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-3-phenylprop-2-en-1-one
1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-3-phenylprop-2-en-1-one
Compound characteristics
| Compound ID: | K407-0592 |
| Compound Name: | 1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-3-phenylprop-2-en-1-one |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C27 H26 F N O4 |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)F)c2cc1OC)C(/C=C/c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6955 |
| logD: | 4.6955 |
| logSw: | -4.4224 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.046 |
| InChI Key: | TXMIDRACNKSZPW-DEOSSOPVSA-N |