1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-(thiophen-2-yl)ethan-1-one
1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | K407-0072 |
| Compound Name: | 1-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C24 H24 N2 O6 S |
| Smiles: | COc1cc2CCN(C(COc3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(Cc1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7325 |
| logD: | 3.7325 |
| logSw: | -3.9549 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.446 |
| InChI Key: | JRDWPIVJXKACGR-NRFANRHFSA-N |