methyl 4-{[2-(2,6-difluorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(2,6-difluorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
methyl 4-{[2-(2,6-difluorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Compound characteristics
| Compound ID: | K407-0358 |
| Compound Name: | methyl 4-{[2-(2,6-difluorobenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate |
| Molecular Weight: | 497.5 |
| Molecular Formula: | C27 H25 F2 N O6 |
| Smiles: | COC(c1ccc(cc1)OCC1c2cc(c(cc2CCN1C(c1c(cccc1F)F)=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3037 |
| logD: | 4.3037 |
| logSw: | -4.4311 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.747 |
| InChI Key: | KMTPDZDUDZNQJJ-QFIPXVFZSA-N |