5-nitro-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzonitrile
Chemical Structure Depiction of
5-nitro-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzonitrile
5-nitro-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzonitrile
Compound characteristics
| Compound ID: | R052-1561 |
| Compound Name: | 5-nitro-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzonitrile |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C18 H16 N4 O3 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1C#N)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7591 |
| logD: | 2.7591 |
| logSw: | -3.3412 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.527 |
| InChI Key: | WBKDQBSSRNRVGN-UHFFFAOYSA-N |