1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-ethylhexan-1-one
Chemical Structure Depiction of
1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-ethylhexan-1-one
1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-ethylhexan-1-one
Compound characteristics
| Compound ID: | V001-7087 |
| Compound Name: | 1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-ethylhexan-1-one |
| Molecular Weight: | 447.98 |
| Molecular Formula: | C25 H31 Cl F N O3 |
| Smiles: | CCCCC(CC)C(N1CCc2cc(c(cc2C1c1c(cccc1[Cl])F)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.879 |
| logD: | 5.879 |
| logSw: | -6.0128 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.3937 |
| InChI Key: | MEMQYFCKJFHLDB-UHFFFAOYSA-N |