diethyl [3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]propanedioate
Chemical Structure Depiction of
diethyl [3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]propanedioate
diethyl [3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]propanedioate
Compound characteristics
| Compound ID: | K621-0004 |
| Compound Name: | diethyl [3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]propanedioate |
| Molecular Weight: | 512.52 |
| Molecular Formula: | C25 H28 N4 O8 |
| Smiles: | CCOC(C(C(=O)OCC)NC(c1ccc(c(c1)[N+]([O-])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1988 |
| logD: | 2.1967 |
| logSw: | -2.8406 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.714 |
| InChI Key: | OFVOOEAQLPLALY-UHFFFAOYSA-N |