2-(benzylsulfanyl)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Chemical Structure Depiction of
2-(benzylsulfanyl)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
2-(benzylsulfanyl)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 8007-4541 |
| Compound Name: | 2-(benzylsulfanyl)-4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile |
| Molecular Weight: | 337.44 |
| Molecular Formula: | C19 H19 N3 O S |
| Smiles: | C1CCC2(CC1)C(C#N)C(NC(=C2C#N)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.888 |
| logD: | 2.8748 |
| logSw: | -3.3122 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.221 |
| InChI Key: | PDHWWQMYBJCWCC-HNNXBMFYSA-N |