1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-phenoxyethan-1-one
1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-phenoxyethan-1-one
Compound characteristics
Compound ID: | K407-0165 |
Compound Name: | 1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-phenoxyethan-1-one |
Molecular Weight: | 478.5 |
Molecular Formula: | C26 H26 N2 O7 |
Smiles: | COc1cc2CCN(C(COc3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(COc1ccccc1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8658 |
logD: | 3.8658 |
logSw: | -3.9923 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 78.927 |
InChI Key: | XVVRHKYYNPIKLM-QHCPKHFHSA-N |