2-cyano-N-(4-fluorophenyl)-3,3-bis{[(4-fluorophenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-N-(4-fluorophenyl)-3,3-bis{[(4-fluorophenyl)methyl]sulfanyl}prop-2-enamide
2-cyano-N-(4-fluorophenyl)-3,3-bis{[(4-fluorophenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0223 |
| Compound Name: | 2-cyano-N-(4-fluorophenyl)-3,3-bis{[(4-fluorophenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C24 H17 F3 N2 O S2 |
| Smiles: | C(c1ccc(cc1)F)SC(=C(C#N)C(Nc1ccc(cc1)F)=O)SCc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.5572 |
| logD: | 5.0397 |
| logSw: | -5.7124 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.114 |
| InChI Key: | NFFBBQXJCLLZHP-UHFFFAOYSA-N |