1'-benzyl-2,2',4-trioxo-1',2'-dihydrospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile
Chemical Structure Depiction of
1'-benzyl-2,2',4-trioxo-1',2'-dihydrospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile
1'-benzyl-2,2',4-trioxo-1',2'-dihydrospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8020-0578 |
| Compound Name: | 1'-benzyl-2,2',4-trioxo-1',2'-dihydrospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile |
| Molecular Weight: | 368.35 |
| Molecular Formula: | C21 H12 N4 O3 |
| Smiles: | C(c1ccccc1)N1C(C2(c3ccccc13)C1(C#N)C(NC(C12C#N)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9634 |
| logD: | 1.9592 |
| logSw: | -2.9571 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.837 |
| InChI Key: | AHXGTZLQSXTAIH-UHFFFAOYSA-N |