1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-(4-methoxyphenyl)ethan-1-one
1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | K407-0250 |
| Compound Name: | 1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 492.53 |
| Molecular Formula: | C27 H28 N2 O7 |
| Smiles: | COc1ccc(CC(N2CCc3cc(c(cc3C2COc2ccc(cc2)[N+]([O-])=O)OC)OC)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1636 |
| logD: | 4.1636 |
| logSw: | -4.3193 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.971 |
| InChI Key: | SPNFVUFSDDZDFZ-DEOSSOPVSA-N |