methyl 4-[2-(3-chlorophenyl)-6,7-diethoxy-3-oxo-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[2-(3-chlorophenyl)-6,7-diethoxy-3-oxo-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoate
methyl 4-[2-(3-chlorophenyl)-6,7-diethoxy-3-oxo-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoate
Compound characteristics
| Compound ID: | D145-2423 |
| Compound Name: | methyl 4-[2-(3-chlorophenyl)-6,7-diethoxy-3-oxo-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoate |
| Molecular Weight: | 479.96 |
| Molecular Formula: | C27 H26 Cl N O5 |
| Smiles: | CCOc1cc2CC(N(C(c3ccc(cc3)C(=O)OC)c2cc1OCC)c1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0181 |
| logD: | 5.0181 |
| logSw: | -5.3561 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.912 |
| InChI Key: | IVVKNUQDWQKVMV-SANMLTNESA-N |