3,3-bis{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide
Chemical Structure Depiction of
3,3-bis{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide
3,3-bis{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0157 |
| Compound Name: | 3,3-bis{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide |
| Molecular Weight: | 549.49 |
| Molecular Formula: | C26 H20 Cl2 F2 N2 O S2 |
| Smiles: | Cc1ccc(C)c(c1)NC(C(C#N)=C(SCc1ccc(cc1[Cl])F)SCc1ccc(cc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 8.0638 |
| logD: | 8.046 |
| logSw: | -6.5262 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.417 |
| InChI Key: | UNESNFHEZJKVDI-UHFFFAOYSA-N |