4-amino-6-(4-ethoxyphenyl)spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]oxathiolane]-1,5-dicarbonitrile
Chemical Structure Depiction of
4-amino-6-(4-ethoxyphenyl)spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]oxathiolane]-1,5-dicarbonitrile
4-amino-6-(4-ethoxyphenyl)spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]oxathiolane]-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8018-0598 |
| Compound Name: | 4-amino-6-(4-ethoxyphenyl)spiro[3-azabicyclo[3.1.0]hex-3-ene-2,2'-[1,3]oxathiolane]-1,5-dicarbonitrile |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C17 H16 N4 O2 S |
| Smiles: | CCOc1ccc(cc1)C1C2(C#N)C(N)=NC3(C12C#N)OCCS3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2406 |
| logD: | -0.7716 |
| logSw: | -2.4742 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.484 |
| InChI Key: | IBLROMSLRFYUTQ-UHFFFAOYSA-N |