N-(4-chlorophenyl)-2-cyano-3,3-bis{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-cyano-3,3-bis{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enamide
N-(4-chlorophenyl)-2-cyano-3,3-bis{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0169 |
| Compound Name: | N-(4-chlorophenyl)-2-cyano-3,3-bis{[(3-fluorophenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 486.99 |
| Molecular Formula: | C24 H17 Cl F2 N2 O S2 |
| Smiles: | C(c1cccc(c1)F)SC(=C(C#N)C(Nc1ccc(cc1)[Cl])=O)SCc1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 6.8641 |
| logD: | 6.3466 |
| logSw: | -6.6055 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.114 |
| InChI Key: | APZULCXUZNJBLG-UHFFFAOYSA-N |