ethyl {6,7-diethoxy-2-[2-(4-fluoroanilino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Chemical Structure Depiction of
ethyl {6,7-diethoxy-2-[2-(4-fluoroanilino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
ethyl {6,7-diethoxy-2-[2-(4-fluoroanilino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate
Compound characteristics
| Compound ID: | E730-1700 |
| Compound Name: | ethyl {6,7-diethoxy-2-[2-(4-fluoroanilino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}acetate |
| Molecular Weight: | 458.53 |
| Molecular Formula: | C25 H31 F N2 O5 |
| Smiles: | CCOC(CC1c2cc(c(cc2CCN1CC(Nc1ccc(cc1)F)=O)OCC)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0672 |
| logD: | 3.0024 |
| logSw: | -3.2973 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.064 |
| InChI Key: | OEOUOXHGCKNYCF-NRFANRHFSA-N |