1-{6,7-dimethoxy-1-[(4-methoxyphenoxy)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-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
1-{6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Compound characteristics
| Compound ID: | K407-0277 |
| Compound Name: | 1-{6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one |
| Molecular Weight: | 549.62 |
| Molecular Formula: | C31 H35 N O8 |
| Smiles: | COc1ccc(cc1)OCC1c2cc(c(cc2CCN1C(/C=C/c1cc(c(c(c1)OC)OC)OC)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1888 |
| logD: | 4.1888 |
| logSw: | -4.3072 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.568 |
| InChI Key: | OTHXAYAONQZFTP-VWLOTQADSA-N |