2-cyano-3,3-bis{[(3-methylphenyl)methyl]sulfanyl}-N-phenylprop-2-enamide
Chemical Structure Depiction of
2-cyano-3,3-bis{[(3-methylphenyl)methyl]sulfanyl}-N-phenylprop-2-enamide
2-cyano-3,3-bis{[(3-methylphenyl)methyl]sulfanyl}-N-phenylprop-2-enamide
Compound characteristics
| Compound ID: | K291-0197 |
| Compound Name: | 2-cyano-3,3-bis{[(3-methylphenyl)methyl]sulfanyl}-N-phenylprop-2-enamide |
| Molecular Weight: | 444.62 |
| Molecular Formula: | C26 H24 N2 O S2 |
| Smiles: | Cc1cccc(CSC(=C(C#N)C(Nc2ccccc2)=O)SCc2cccc(C)c2)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.1265 |
| logD: | 7.1109 |
| logSw: | -5.5991 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.114 |
| InChI Key: | OAVRCRMTONVWQC-UHFFFAOYSA-N |