1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one
Chemical Structure Depiction of
1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one
1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one
Compound characteristics
| Compound ID: | V002-8767 |
| Compound Name: | 1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one |
| Molecular Weight: | 451.92 |
| Molecular Formula: | C26 H23 Cl F N O3 |
| Smiles: | COc1cc2CCN(C(c2cc1OC)c1c(cccc1[Cl])F)C(/C=C/c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0906 |
| logD: | 5.0906 |
| logSw: | -5.6166 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.5947 |
| InChI Key: | SSBPCWOWPHQDJH-SANMLTNESA-N |