1-{6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-methylbutan-1-one
Chemical Structure Depiction of
1-{6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-methylbutan-1-one
1-{6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-methylbutan-1-one
Compound characteristics
| Compound ID: | K407-0128 |
| Compound Name: | 1-{6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-methylbutan-1-one |
| Molecular Weight: | 413.51 |
| Molecular Formula: | C24 H31 N O5 |
| Smiles: | CC(C)CC(N1CCc2cc(c(cc2C1COc1ccc(cc1)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9832 |
| logD: | 3.9832 |
| logSw: | -4.1199 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.861 |
| InChI Key: | NSUJUTWLKKMOGR-NRFANRHFSA-N |