3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-propylbenzamide
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-propylbenzamide
3-nitro-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-propylbenzamide
Compound characteristics
| Compound ID: | K781-0328 |
| 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-propylbenzamide |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C21 H24 N4 O4 |
| Smiles: | CCCNC(c1ccc(c(c1)[N+]([O-])=O)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.709 |
| logD: | 2.709 |
| logSw: | -3.2319 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.696 |
| InChI Key: | OTGBYPQOCGNGPA-UHFFFAOYSA-N |