dimethyl 5-[3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-[3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]benzene-1,3-dicarboxylate
dimethyl 5-[3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K781-1447 |
| Compound Name: | dimethyl 5-[3-(4-tert-butylbenzamido)-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]benzene-1,3-dicarboxylate |
| Molecular Weight: | 676.77 |
| Molecular Formula: | C39 H40 N4 O7 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1cc(ccc1N1CC2CC(C1)C1=CC=CC(N1C2)=O)C(Nc1cc(cc(c1)C(=O)OC)C(=O)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.5258 |
| logD: | 6.9611 |
| logSw: | -5.5997 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.921 |
| InChI Key: | CRLMXEPWDWUKGJ-UHFFFAOYSA-N |