6,7-diethoxy-1-(4-ethylphenyl)-2-(3-fluoro-4-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one
Chemical Structure Depiction of
6,7-diethoxy-1-(4-ethylphenyl)-2-(3-fluoro-4-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one
6,7-diethoxy-1-(4-ethylphenyl)-2-(3-fluoro-4-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one
Compound characteristics
| Compound ID: | D145-2387 |
| Compound Name: | 6,7-diethoxy-1-(4-ethylphenyl)-2-(3-fluoro-4-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C28 H30 F N O3 |
| Smiles: | CCc1ccc(cc1)C1c2cc(c(cc2CC(N1c1ccc(C)c(c1)F)=O)OCC)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8797 |
| logD: | 5.8797 |
| logSw: | -5.4554 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.7379 |
| InChI Key: | ZTYFKXOXUDLWOE-NDEPHWFRSA-N |