ethyl 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
ethyl 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Compound characteristics
| Compound ID: | 5590-0133 |
| Compound Name: | ethyl 4-[1-(3,4-diethoxyphenyl)-6,7-diethoxy-3-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate |
| Molecular Weight: | 547.65 |
| Molecular Formula: | C32 H37 N O7 |
| Smiles: | CCOC(c1ccc(cc1)N1C(c2ccc(c(c2)OCC)OCC)c2cc(c(cc2CC1=O)OCC)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.028 |
| logD: | 5.028 |
| logSw: | -4.7739 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.912 |
| InChI Key: | GVYKKFUCMMSMBC-HKBQPEDESA-N |