3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
Chemical Structure Depiction of
3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
Compound characteristics
| Compound ID: | K621-0038 |
| Compound Name: | 3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(3,4,5-trimethoxyphenyl)benzamide |
| Molecular Weight: | 520.54 |
| Molecular Formula: | C27 H28 N4 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(c1ccc(c(c1)[N+]([O-])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1979 |
| logD: | 2.9819 |
| logSw: | -3.6956 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.239 |
| InChI Key: | VEUVHJBSMQRDHN-UHFFFAOYSA-N |