3-chloro-1,8,8-trimethyl-6-oxo-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile
Chemical Structure Depiction of
3-chloro-1,8,8-trimethyl-6-oxo-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile
3-chloro-1,8,8-trimethyl-6-oxo-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8019-8339 |
| Compound Name: | 3-chloro-1,8,8-trimethyl-6-oxo-2,7-diazabicyclo[3.2.1]oct-3-ene-4,5-dicarbonitrile |
| Molecular Weight: | 250.68 |
| Molecular Formula: | C11 H11 Cl N4 O |
| Smiles: | CC1(C)C2(C#N)C(C#N)=C(NC1(C)NC2=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3517 |
| logD: | 1.3517 |
| logSw: | -2.2784 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.941 |
| InChI Key: | PQHLRHKHTSFOFS-UHFFFAOYSA-N |