3-(5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
3-(5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
3-(5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | C359-0111 |
| Compound Name: | 3-(5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 394.39 |
| Molecular Formula: | C19 H18 N6 O4 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1c(nn(c2ccccc2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5994 |
| logD: | 2.5994 |
| logSw: | -2.7457 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 85.456 |
| InChI Key: | HAQFWDCTDAHFNQ-UHFFFAOYSA-N |