methyl 4-[6,7-diethoxy-1-(3-methylphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Chemical Structure Depiction of
methyl 4-[6,7-diethoxy-1-(3-methylphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
methyl 4-[6,7-diethoxy-1-(3-methylphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Compound characteristics
| Compound ID: | D145-2181 |
| Compound Name: | methyl 4-[6,7-diethoxy-1-(3-methylphenyl)-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C28 H29 N O5 |
| Smiles: | CCOc1cc2CC(N(C(c3cccc(C)c3)c2cc1OCC)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9016 |
| logD: | 4.9016 |
| logSw: | -4.6801 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.912 |
| InChI Key: | RWVBAHWAPVRQIZ-MHZLTWQESA-N |