methyl 4-[1-(4-bromophenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Chemical Structure Depiction of
methyl 4-[1-(4-bromophenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
methyl 4-[1-(4-bromophenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Compound characteristics
| Compound ID: | D081-0033 |
| Compound Name: | methyl 4-[1-(4-bromophenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate |
| Molecular Weight: | 524.41 |
| Molecular Formula: | C27 H26 Br N O5 |
| Smiles: | CCOc1cc2CC(N(C(c3ccc(cc3)[Br])c2cc1OCC)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1974 |
| logD: | 5.1974 |
| logSw: | -5.1453 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.912 |
| InChI Key: | QFVFEBRFQVWPCM-SANMLTNESA-N |