{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(3,4,5-trimethoxyphenyl)methanone
{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | K407-0093 |
| Compound Name: | {6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}(3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 538.55 |
| Molecular Formula: | C28 H30 N2 O9 |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8138 |
| logD: | 3.8138 |
| logSw: | -3.9825 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.933 |
| InChI Key: | ULMGCZAVGJUQNW-QFIPXVFZSA-N |