ethyl 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
ethyl 2-{[6,7-dimethoxy-2-methyl-1-oxo-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate
ethyl 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: | C125-0515 |
| Compound Name: | ethyl 2-{[6,7-dimethoxy-2-methyl-1-oxo-3-(pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C27 H27 N3 O6 |
| Smiles: | CCOC(c1ccccc1NC(C1C(c2cccnc2)N(C)C(c2cc(c(cc12)OC)OC)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7783 |
| logD: | 2.419 |
| logSw: | -3.1901 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.614 |
| InChI Key: | IDBXHKBGBCKYLN-UHFFFAOYSA-N |