3,3-bis(benzylsulfanyl)-2-cyano-N-(3-methylphenyl)prop-2-enamide
Chemical Structure Depiction of
3,3-bis(benzylsulfanyl)-2-cyano-N-(3-methylphenyl)prop-2-enamide
3,3-bis(benzylsulfanyl)-2-cyano-N-(3-methylphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0159 |
| Compound Name: | 3,3-bis(benzylsulfanyl)-2-cyano-N-(3-methylphenyl)prop-2-enamide |
| Molecular Weight: | 430.59 |
| Molecular Formula: | C25 H22 N2 O S2 |
| Smiles: | Cc1cccc(c1)NC(C(C#N)=C(SCc1ccccc1)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8299 |
| logD: | 5.8196 |
| logSw: | -5.4361 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.114 |
| InChI Key: | XZPQCHOJSZUHCW-UHFFFAOYSA-N |