dimethyl 5-[3-amino-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-amino-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-amino-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: | K781-1433 |
| Compound Name: | dimethyl 5-[3-amino-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: | 516.55 |
| Molecular Formula: | C28 H28 N4 O6 |
| Smiles: | COC(c1cc(cc(c1)NC(c1ccc(c(c1)N)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0584 |
| logD: | 4.0527 |
| logSw: | -4.4527 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.624 |
| InChI Key: | LUSKPRNWDCETPC-UHFFFAOYSA-N |