1-(3-chlorophenyl)-6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one
Chemical Structure Depiction of
1-(3-chlorophenyl)-6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one
1-(3-chlorophenyl)-6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one
Compound characteristics
| Compound ID: | D145-2101 |
| Compound Name: | 1-(3-chlorophenyl)-6,7-diethoxy-2-(3-fluoro-4-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one |
| Molecular Weight: | 453.94 |
| Molecular Formula: | C26 H25 Cl F N O3 |
| Smiles: | CCOc1cc2CC(N(C(c3cccc(c3)[Cl])c2cc1OCC)c1ccc(C)c(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5519 |
| logD: | 5.5519 |
| logSw: | -5.9016 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.7379 |
| InChI Key: | ZXRNYTBEUPQXAJ-SANMLTNESA-N |