1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-2-(thiophen-2-yl)ethan-1-one
1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | K407-0248 |
| Compound Name: | 1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 451.58 |
| Molecular Formula: | C26 H29 N O4 S |
| Smiles: | Cc1cc(C)cc(c1)OCC1c2cc(c(cc2CCN1C(Cc1cccs1)=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6899 |
| logD: | 4.6899 |
| logSw: | -4.465 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.064 |
| InChI Key: | XDRZVZOFYHRAHN-QHCPKHFHSA-N |