3,3-bis(benzylsulfanyl)-2-cyano-N-[2-(cyclohex-1-en-1-yl)ethyl]prop-2-enamide
Chemical Structure Depiction of
3,3-bis(benzylsulfanyl)-2-cyano-N-[2-(cyclohex-1-en-1-yl)ethyl]prop-2-enamide
3,3-bis(benzylsulfanyl)-2-cyano-N-[2-(cyclohex-1-en-1-yl)ethyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0178 |
| Compound Name: | 3,3-bis(benzylsulfanyl)-2-cyano-N-[2-(cyclohex-1-en-1-yl)ethyl]prop-2-enamide |
| Molecular Weight: | 448.65 |
| Molecular Formula: | C26 H28 N2 O S2 |
| Smiles: | C1CCC(CCNC(C(C#N)=C(SCc2ccccc2)SCc2ccccc2)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.4749 |
| logD: | 5.4748 |
| logSw: | -5.5646 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.47 |
| InChI Key: | ONCWTKNUEUWTNE-UHFFFAOYSA-N |