4-amino-6-(2H-1,3-benzodioxol-5-yl)spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
Chemical Structure Depiction of
4-amino-6-(2H-1,3-benzodioxol-5-yl)spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
4-amino-6-(2H-1,3-benzodioxol-5-yl)spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8017-6930 |
| Compound Name: | 4-amino-6-(2H-1,3-benzodioxol-5-yl)spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile |
| Molecular Weight: | 324.29 |
| Molecular Formula: | C16 H12 N4 O4 |
| Smiles: | C1COC2(C3(C#N)C(c4ccc5c(c4)OCO5)C3(C#N)C(N)=N2)O1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2502 |
| logD: | -1.9242 |
| logSw: | -1.7804 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.044 |
| InChI Key: | BKXNOGJDCAAKDM-UHFFFAOYSA-N |