3,3-bis{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-phenylprop-2-enamide
Chemical Structure Depiction of
3,3-bis{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-phenylprop-2-enamide
3,3-bis{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-phenylprop-2-enamide
Compound characteristics
| Compound ID: | K291-0195 |
| Compound Name: | 3,3-bis{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-phenylprop-2-enamide |
| Molecular Weight: | 485.45 |
| Molecular Formula: | C24 H18 Cl2 N2 O S2 |
| Smiles: | C(c1ccccc1[Cl])SC(=C(C#N)C(Nc1ccccc1)=O)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.1508 |
| logD: | 7.1352 |
| logSw: | -6.4314 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.114 |
| InChI Key: | LUUQKTIAUIEKAU-UHFFFAOYSA-N |