1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-phenylprop-2-en-1-one
Chemical Structure Depiction of
1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-phenylprop-2-en-1-one
1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-phenylprop-2-en-1-one
Compound characteristics
| Compound ID: | K407-0502 |
| Compound Name: | 1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-phenylprop-2-en-1-one |
| Molecular Weight: | 474.51 |
| Molecular Formula: | C27 H26 N2 O6 |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(/C=C/c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5921 |
| logD: | 4.5921 |
| logSw: | -4.4156 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.428 |
| InChI Key: | DRXYETFERWYGOH-DEOSSOPVSA-N |