1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of
1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | K407-0269 |
| Compound Name: | 1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 564.59 |
| Molecular Formula: | C30 H32 N2 O9 |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(/C=C/c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.132 |
| logD: | 4.132 |
| logSw: | -4.3188 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.406 |
| InChI Key: | QLQYHMJTMHQEGZ-DEOSSOPVSA-N |