3,3-bis{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(4-fluorophenyl)prop-2-enamide
Chemical Structure Depiction of
3,3-bis{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(4-fluorophenyl)prop-2-enamide
3,3-bis{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(4-fluorophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0216 |
| Compound Name: | 3,3-bis{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(4-fluorophenyl)prop-2-enamide |
| Molecular Weight: | 503.44 |
| Molecular Formula: | C24 H17 Cl2 F N2 O S2 |
| Smiles: | C(c1ccccc1[Cl])SC(=C(C#N)C(Nc1ccc(cc1)F)=O)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.3716 |
| logD: | 6.8541 |
| logSw: | -6.4857 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.114 |
| InChI Key: | MCJLZHUOOPSMEC-UHFFFAOYSA-N |