dimethyl 5-[3-nitro-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-nitro-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-nitro-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: | K621-0012 |
| Compound Name: | dimethyl 5-[3-nitro-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: | 546.54 |
| Molecular Formula: | C28 H26 N4 O8 |
| Smiles: | COC(c1cc(cc(c1)NC(c1ccc(c(c1)[N+]([O-])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3062 |
| logD: | 4.2861 |
| logSw: | -4.5785 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.608 |
| InChI Key: | YAFVLSIJBREGGQ-UHFFFAOYSA-N |