4-nitro-5-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-nitro-5-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzene-1,2-dicarbonitrile
4-nitro-5-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8010-9936 |
| Compound Name: | 4-nitro-5-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzene-1,2-dicarbonitrile |
| Molecular Weight: | 361.36 |
| Molecular Formula: | C19 H15 N5 O3 |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1cc(C#N)c(C#N)cc1[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.477 |
| logD: | 2.477 |
| logSw: | -2.6934 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 86.282 |
| InChI Key: | BMAFYQCEWBHPNE-UHFFFAOYSA-N |