3,3-bis{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(2-phenylethyl)prop-2-enamide
Chemical Structure Depiction of
3,3-bis{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(2-phenylethyl)prop-2-enamide
3,3-bis{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(2-phenylethyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0207 |
| Compound Name: | 3,3-bis{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(2-phenylethyl)prop-2-enamide |
| Molecular Weight: | 513.51 |
| Molecular Formula: | C26 H22 Cl2 N2 O S2 |
| Smiles: | C(CNC(C(C#N)=C(SCc1ccccc1[Cl])SCc1ccccc1[Cl])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.977 |
| logD: | 6.9768 |
| logSw: | -6.4005 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.278 |
| InChI Key: | JAVMJXZRXIDVNN-UHFFFAOYSA-N |