6-(2H-1,3-benzodioxol-5-yl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
6-(2H-1,3-benzodioxol-5-yl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8018-3998 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-2,4-dioxo-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile |
| Molecular Weight: | 281.22 |
| Molecular Formula: | C14 H7 N3 O4 |
| Smiles: | C1Oc2ccc(cc2O1)C1C2(C#N)C(NC(C12C#N)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9821 |
| logD: | 0.9798 |
| logSw: | -2.1158 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.483 |
| InChI Key: | JBXMSNZVHARBGV-UHFFFAOYSA-N |