methyl 2-{[6,7-dimethoxy-2-methyl-1-oxo-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[6,7-dimethoxy-2-methyl-1-oxo-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
methyl 2-{[6,7-dimethoxy-2-methyl-1-oxo-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C125-0477 |
| Compound Name: | methyl 2-{[6,7-dimethoxy-2-methyl-1-oxo-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 475.5 |
| Molecular Formula: | C26 H25 N3 O6 |
| Smiles: | CN1C(C(C(Nc2ccccc2C(=O)OC)=O)c2cc(c(cc2C1=O)OC)OC)c1cccnc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2347 |
| logD: | 1.8754 |
| logSw: | -2.8883 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.034 |
| InChI Key: | BCUMTMMQDSIWOA-UHFFFAOYSA-N |