methyl 4-{[6,7-dimethoxy-2-(4-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Chemical Structure Depiction of
methyl 4-{[6,7-dimethoxy-2-(4-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
methyl 4-{[6,7-dimethoxy-2-(4-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
Compound characteristics
| Compound ID: | K407-0336 |
| Compound Name: | methyl 4-{[6,7-dimethoxy-2-(4-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate |
| Molecular Weight: | 520.54 |
| Molecular Formula: | C28 H28 N2 O8 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N1CCc2cc(c(cc2C1COc1ccc(cc1)C(=O)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5279 |
| logD: | 4.5279 |
| logSw: | -4.3889 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.828 |
| InChI Key: | VJWUNRXRYWELPZ-DEOSSOPVSA-N |