3-anilino-2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-(2-methylphenyl)prop-2-enamide
Chemical Structure Depiction of
3-anilino-2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-(2-methylphenyl)prop-2-enamide
3-anilino-2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-(2-methylphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0057 |
| Compound Name: | 3-anilino-2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-N-(2-methylphenyl)prop-2-enamide |
| Molecular Weight: | 427.57 |
| Molecular Formula: | C26 H25 N3 O S |
| Smiles: | Cc1ccc(CSC(=C(/C#N)C(Nc2ccccc2C)=O)\Nc2ccccc2)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.2386 |
| logD: | 6.2373 |
| logSw: | -5.3777 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.38 |
| InChI Key: | CFALGFUMJNIOSW-UHFFFAOYSA-N |