1-(4-bromophenyl)-6,7-diethoxy-2-(4-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one
Chemical Structure Depiction of
1-(4-bromophenyl)-6,7-diethoxy-2-(4-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one
1-(4-bromophenyl)-6,7-diethoxy-2-(4-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one
Compound characteristics
| Compound ID: | D081-0027 |
| Compound Name: | 1-(4-bromophenyl)-6,7-diethoxy-2-(4-methylphenyl)-1,4-dihydroisoquinolin-3(2H)-one |
| Molecular Weight: | 480.4 |
| Molecular Formula: | C26 H26 Br N O3 |
| Smiles: | CCOc1cc2CC(N(C(c3ccc(cc3)[Br])c2cc1OCC)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.53 |
| logD: | 5.53 |
| logSw: | -5.3615 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.7379 |
| InChI Key: | HCQZCBHCVLSTOL-SANMLTNESA-N |