1-{6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-phenylethan-1-one
Chemical Structure Depiction of
1-{6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-phenylethan-1-one
1-{6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-phenylethan-1-one
Compound characteristics
| Compound ID: | K407-0183 |
| Compound Name: | 1-{6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-phenylethan-1-one |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C27 H29 N O5 |
| Smiles: | COc1ccccc1OCC1c2cc(c(cc2CCN1C(Cc1ccccc1)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.127 |
| logD: | 4.127 |
| logSw: | -4.3472 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.763 |
| InChI Key: | XWIQLXBYAAZUDG-QFIPXVFZSA-N |