4-amino-6-benzylspiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]oxathiolane]-1,5-dicarbonitrile
Chemical Structure Depiction of
4-amino-6-benzylspiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]oxathiolane]-1,5-dicarbonitrile
4-amino-6-benzylspiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]oxathiolane]-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8018-2477 |
| Compound Name: | 4-amino-6-benzylspiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]oxathiolane]-1,5-dicarbonitrile |
| Molecular Weight: | 310.38 |
| Molecular Formula: | C16 H14 N4 O S |
| Smiles: | C(C1C2(C#N)C(N)=NC3(C12C#N)OCCS3)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1574 |
| logD: | 1.0627 |
| logSw: | -2.3365 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.361 |
| InChI Key: | YIISYQKFFXJCTR-UHFFFAOYSA-N |