{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}(3-nitrophenyl)methanone
Chemical Structure Depiction of
{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}(3-nitrophenyl)methanone
{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | K407-0300 |
| Compound Name: | {1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}(3-nitrophenyl)methanone |
| Molecular Weight: | 466.47 |
| Molecular Formula: | C25 H23 F N2 O6 |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)F)c2cc1OC)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0639 |
| logD: | 4.0639 |
| logSw: | -4.1866 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.955 |
| InChI Key: | NTFHOMHYOIAFSP-QFIPXVFZSA-N |