methyl 4-[(6,7-dimethoxy-2-pentanoyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]benzoate
Chemical Structure Depiction of
methyl 4-[(6,7-dimethoxy-2-pentanoyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]benzoate
methyl 4-[(6,7-dimethoxy-2-pentanoyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]benzoate
Compound characteristics
| Compound ID: | K407-0142 |
| Compound Name: | methyl 4-[(6,7-dimethoxy-2-pentanoyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]benzoate |
| Molecular Weight: | 441.52 |
| Molecular Formula: | C25 H31 N O6 |
| Smiles: | CCCCC(N1CCc2cc(c(cc2C1COc1ccc(cc1)C(=O)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.205 |
| logD: | 4.205 |
| logSw: | -4.1222 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.492 |
| InChI Key: | DKTIYYWSTSWMTQ-NRFANRHFSA-N |