2,2,2-trichloro-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2,2,2-trichloro-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2,2,2-trichloro-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8014-0020 |
| Compound Name: | 2,2,2-trichloro-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 338.62 |
| Molecular Formula: | C13 H14 Cl3 N O3 |
| Smiles: | COc1cc2CCN(Cc2cc1OC)C(C([Cl])([Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8328 |
| logD: | 2.8328 |
| logSw: | -3.3687 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.081 |
| InChI Key: | DGUDPVKKEPXKLP-UHFFFAOYSA-N |