methyl 4-[6,7-diethoxy-2-(3-methylphenyl)-3-oxo-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[6,7-diethoxy-2-(3-methylphenyl)-3-oxo-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoate
methyl 4-[6,7-diethoxy-2-(3-methylphenyl)-3-oxo-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoate
Compound characteristics
| Compound ID: | D145-2443 |
| Compound Name: | methyl 4-[6,7-diethoxy-2-(3-methylphenyl)-3-oxo-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoate |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C28 H29 N O5 |
| Smiles: | CCOc1cc2CC(N(C(c3ccc(cc3)C(=O)OC)c2cc1OCC)c1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.877 |
| logD: | 4.877 |
| logSw: | -4.6816 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.912 |
| InChI Key: | CLAPRJMGEDBWSO-MHZLTWQESA-N |