dimethyl 2-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}benzene-1,4-dicarboxylate
dimethyl 2-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | 8264-0682 |
| Compound Name: | dimethyl 2-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}benzene-1,4-dicarboxylate |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C27 H26 N2 O5 |
| Smiles: | COC(c1ccc(C(=O)OC)c(c1)NC(c1ccc(CN2CCc3ccccc3C2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4557 |
| logD: | 3.6178 |
| logSw: | -4.166 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.374 |
| InChI Key: | GWFXJNXGAHWJNF-UHFFFAOYSA-N |