methyl 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Chemical Structure Depiction of
methyl 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
methyl 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Compound characteristics
| Compound ID: | 5590-0132 |
| Compound Name: | methyl 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate |
| Molecular Weight: | 533.62 |
| Molecular Formula: | C31 H35 N O7 |
| Smiles: | CCOc1ccc(cc1OCC)C1c2cc(c(cc2CC(N1c1ccc(cc1)C(=O)OC)=O)OCC)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5173 |
| logD: | 4.5173 |
| logSw: | -4.4699 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.332 |
| InChI Key: | NXRPHKBQHLWNHI-PMERELPUSA-N |