2-cyano-3,3-bis{[(2,5-difluorophenyl)methyl]sulfanyl}-N-(4-fluorophenyl)prop-2-enamide
Chemical Structure Depiction of
2-cyano-3,3-bis{[(2,5-difluorophenyl)methyl]sulfanyl}-N-(4-fluorophenyl)prop-2-enamide
2-cyano-3,3-bis{[(2,5-difluorophenyl)methyl]sulfanyl}-N-(4-fluorophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0005 |
| Compound Name: | 2-cyano-3,3-bis{[(2,5-difluorophenyl)methyl]sulfanyl}-N-(4-fluorophenyl)prop-2-enamide |
| Molecular Weight: | 506.51 |
| Molecular Formula: | C24 H15 F5 N2 O S2 |
| Smiles: | C(c1cc(ccc1F)F)SC(=C(C#N)C(Nc1ccc(cc1)F)=O)SCc1cc(ccc1F)F |
| Stereo: | ACHIRAL |
| logP: | 7.0408 |
| logD: | 6.5233 |
| logSw: | -6.0771 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.114 |
| InChI Key: | UYSXPSGILRQLRH-UHFFFAOYSA-N |