3-bromo-8,8-dimethyl-6-oxo-1-(propan-2-yl)-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile
Chemical Structure Depiction of
3-bromo-8,8-dimethyl-6-oxo-1-(propan-2-yl)-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile
3-bromo-8,8-dimethyl-6-oxo-1-(propan-2-yl)-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-3480 |
| Compound Name: | 3-bromo-8,8-dimethyl-6-oxo-1-(propan-2-yl)-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile |
| Molecular Weight: | 323.19 |
| Molecular Formula: | C13 H15 Br N4 O |
| Smiles: | CC(C)C12C(C)(C)C(C#N)(C(C#N)=C(N1)[Br])C(N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3367 |
| logD: | 2.3367 |
| logSw: | -2.6595 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.068 |
| InChI Key: | VQNYDSNIJBNOKZ-UHFFFAOYSA-N |