methyl 4-{[6,7-dimethoxy-2-(2-phenylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Chemical Structure Depiction of
methyl 4-{[6,7-dimethoxy-2-(2-phenylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
methyl 4-{[6,7-dimethoxy-2-(2-phenylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Compound characteristics
| Compound ID: | K407-0603 |
| Compound Name: | methyl 4-{[6,7-dimethoxy-2-(2-phenylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate |
| Molecular Weight: | 503.6 |
| Molecular Formula: | C30 H33 N O6 |
| Smiles: | CCC(C(N1CCc2cc(c(cc2C1COc1ccc(cc1)C(=O)OC)OC)OC)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2167 |
| logD: | 5.2167 |
| logSw: | -5.1668 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.747 |
| InChI Key: | VFVMUGKHFFJMLV-UHFFFAOYSA-N |