3,3-bis{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide
Chemical Structure Depiction of
3,3-bis{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide
3,3-bis{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-N-(2,5-dimethylphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0156 |
| Compound Name: | 3,3-bis{[(2-chloro-6-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(SCc1c(cccc1[Cl])F)SCc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7626 |
| logD: | 7.7449 |
| logSw: | -6.4124 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.417 |
| InChI Key: | AFTLHMDYLXBAHB-UHFFFAOYSA-N |