3,3-bis{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-N-(2-phenylethyl)prop-2-enamide
Chemical Structure Depiction of
3,3-bis{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-N-(2-phenylethyl)prop-2-enamide
3,3-bis{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-N-(2-phenylethyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0206 |
| Compound Name: | 3,3-bis{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-N-(2-phenylethyl)prop-2-enamide |
| Molecular Weight: | 549.49 |
| Molecular Formula: | C26 H20 Cl2 F2 N2 O S2 |
| Smiles: | C(CNC(C(C#N)=C(SCc1c(cccc1[Cl])F)SCc1c(cccc1[Cl])F)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.1577 |
| logD: | 7.1575 |
| logSw: | -6.425 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.278 |
| InChI Key: | POEPRBNLURGGJR-UHFFFAOYSA-N |