4-nitro-5-{[(octahydro-2H-quinolizin-4-yl)methyl]amino}benzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-nitro-5-{[(octahydro-2H-quinolizin-4-yl)methyl]amino}benzene-1,2-dicarbonitrile
4-nitro-5-{[(octahydro-2H-quinolizin-4-yl)methyl]amino}benzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8016-3869 |
| Compound Name: | 4-nitro-5-{[(octahydro-2H-quinolizin-4-yl)methyl]amino}benzene-1,2-dicarbonitrile |
| Molecular Weight: | 339.4 |
| Molecular Formula: | C18 H21 N5 O2 |
| Smiles: | C1CCN2C(C1)CCCC2CNc1cc(C#N)c(C#N)cc1[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0772 |
| logD: | 1.502 |
| logSw: | -3.6139 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.497 |
| InChI Key: | TWZKYQDKKNQNIW-UHFFFAOYSA-N |