4-amino-6-[4-(methylsulfanyl)phenyl]spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
Chemical Structure Depiction of
4-amino-6-[4-(methylsulfanyl)phenyl]spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
4-amino-6-[4-(methylsulfanyl)phenyl]spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 6234-0381 |
| Compound Name: | 4-amino-6-[4-(methylsulfanyl)phenyl]spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]dioxolane]-1,5-dicarbonitrile |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C16 H14 N4 O2 S |
| Smiles: | CSc1ccc(cc1)C1C2(C#N)C(N)=NC3(C12C#N)OCCO3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0392 |
| logD: | -1.1352 |
| logSw: | -2.303 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.928 |
| InChI Key: | GHMAZSADYOAIQY-UHFFFAOYSA-N |