3-iodo-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-iodo-8,8-dimethyl-6-oxo-1-(propan-2-yl)-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile
3-iodo-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: | 8020-3481 |
| Compound Name: | 3-iodo-8,8-dimethyl-6-oxo-1-(propan-2-yl)-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile |
| Molecular Weight: | 370.19 |
| Molecular Formula: | C13 H15 I N4 O |
| Smiles: | CC(C)C12C(C)(C)C(C#N)(C(C#N)=C(N1)I)C(N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4807 |
| logD: | 2.4807 |
| logSw: | -2.6739 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.41 |
| InChI Key: | DFCFPXHEGWFHHM-UHFFFAOYSA-N |