methyl 2-[3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]benzoate
Chemical Structure Depiction of
methyl 2-[3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]benzoate
methyl 2-[3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]benzoate
Compound characteristics
| Compound ID: | K621-0033 |
| Compound Name: | methyl 2-[3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamido]benzoate |
| Molecular Weight: | 488.5 |
| Molecular Formula: | C26 H24 N4 O6 |
| Smiles: | COC(c1ccccc1NC(c1ccc(c(c1)[N+]([O-])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7401 |
| logD: | 2.2901 |
| logSw: | -4.1691 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.737 |
| InChI Key: | WPTCGTPUVFOSHU-UHFFFAOYSA-N |