6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3(2H)-one
Chemical Structure Depiction of
6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3(2H)-one
6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3(2H)-one
Compound characteristics
| Compound ID: | D145-2543 |
| Compound Name: | 6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3(2H)-one |
| Molecular Weight: | 449.52 |
| Molecular Formula: | C27 H28 F N O4 |
| Smiles: | CCOc1cc2CC(N(C(c3ccc(cc3)OC)c2cc1OCC)c1ccc(C)c(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9314 |
| logD: | 4.9314 |
| logSw: | -4.6906 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.282 |
| InChI Key: | CXBVIUNVWIHXSA-MHZLTWQESA-N |