{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(3,4-dimethoxyphenyl)methanone
Chemical Structure Depiction of
{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(3,4-dimethoxyphenyl)methanone
{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(3,4-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | K407-0141 |
| Compound Name: | {6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(3,4-dimethoxyphenyl)methanone |
| Molecular Weight: | 508.53 |
| Molecular Formula: | C27 H28 N2 O8 |
| Smiles: | COc1ccc(cc1OC)C(N1CCc2cc(c(cc2C1COc1ccc(cc1)[N+]([O-])=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6389 |
| logD: | 3.6389 |
| logSw: | -3.9025 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.216 |
| InChI Key: | OITDXCIKAYUBTB-QFIPXVFZSA-N |