6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1-(3-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one
Chemical Structure Depiction of
6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1-(3-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one
6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1-(3-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one
Compound characteristics
| Compound ID: | D145-2179 |
| Compound Name: | 6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1-(3-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one |
| Molecular Weight: | 433.52 |
| Molecular Formula: | C27 H28 F N O3 |
| Smiles: | CCOc1cc2CC(N(C(c3cccc(C)c3)c2cc1OCC)c1ccc(C)c(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4871 |
| logD: | 5.4871 |
| logSw: | -5.3495 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.7379 |
| InChI Key: | OYSHGBGAKPLBCJ-MHZLTWQESA-N |