3,3-bis(benzylsulfanyl)-2-cyano-N-(2-fluorophenyl)prop-2-enamide
Chemical Structure Depiction of
3,3-bis(benzylsulfanyl)-2-cyano-N-(2-fluorophenyl)prop-2-enamide
3,3-bis(benzylsulfanyl)-2-cyano-N-(2-fluorophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0182 |
| Compound Name: | 3,3-bis(benzylsulfanyl)-2-cyano-N-(2-fluorophenyl)prop-2-enamide |
| Molecular Weight: | 434.55 |
| Molecular Formula: | C24 H19 F N2 O S2 |
| Smiles: | C(c1ccccc1)SC(=C(C#N)C(Nc1ccccc1F)=O)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4483 |
| logD: | 4.8676 |
| logSw: | -5.6598 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.417 |
| InChI Key: | CLNSVJAHZZWVKQ-UHFFFAOYSA-N |