4-aminospiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]oxathiolane]-1,5-dicarbonitrile
Chemical Structure Depiction of
4-aminospiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]oxathiolane]-1,5-dicarbonitrile
4-aminospiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]oxathiolane]-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8018-2404 |
| Compound Name: | 4-aminospiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]oxathiolane]-1,5-dicarbonitrile |
| Molecular Weight: | 220.25 |
| Molecular Formula: | C9 H8 N4 O S |
| Smiles: | C1C2(C#N)C(N)=NC3(C12C#N)OCCS3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.1059 |
| logD: | -3.7146 |
| logSw: | -0.6667 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.632 |
| InChI Key: | XJYOKVWHZILKKR-UHFFFAOYSA-N |