methyl 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoate
Chemical Structure Depiction of
methyl 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoate
methyl 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoate
Compound characteristics
| Compound ID: | D081-0038 |
| Compound Name: | methyl 4-(6,7-diethoxy-3-oxo-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)benzoate |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C27 H27 N O5 |
| Smiles: | CCOc1cc2CC(N(C(c3ccccc3)c2cc1OCC)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3678 |
| logD: | 4.3678 |
| logSw: | -4.4004 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.912 |
| InChI Key: | BJYKXJKFHSUOAZ-SANMLTNESA-N |