1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethan-1-one
Chemical Structure Depiction of
1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethan-1-one
1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethan-1-one
Compound characteristics
| Compound ID: | V001-6599 |
| Compound Name: | 1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethan-1-one |
| Molecular Weight: | 538.98 |
| Molecular Formula: | C29 H25 Cl F2 N2 O4 |
| Smiles: | Cc1c(CC(N2CCc3cc(c(cc3C2c2c(cccc2[Cl])F)OC)OC)=O)nc(c2cccc(c2)F)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.267 |
| logD: | 5.267 |
| logSw: | -5.8728 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.717 |
| InChI Key: | ASNIVZUOCMVYPA-NDEPHWFRSA-N |