3-anilino-3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(2-methylphenyl)prop-2-enamide
Chemical Structure Depiction of
3-anilino-3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(2-methylphenyl)prop-2-enamide
3-anilino-3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(2-methylphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0061 |
| Compound Name: | 3-anilino-3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-(2-methylphenyl)prop-2-enamide |
| Molecular Weight: | 433.96 |
| Molecular Formula: | C24 H20 Cl N3 O S |
| Smiles: | Cc1ccccc1NC(C(\C#N)=C(/Nc1ccccc1)SCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8087 |
| logD: | 5.8074 |
| logSw: | -5.8535 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.38 |
| InChI Key: | GHXKIPRXODNCJD-UHFFFAOYSA-N |