3-anilino-3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-phenylprop-2-enamide
Chemical Structure Depiction of
3-anilino-3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-phenylprop-2-enamide
3-anilino-3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-phenylprop-2-enamide
Compound characteristics
| Compound ID: | K291-0060 |
| Compound Name: | 3-anilino-3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-N-phenylprop-2-enamide |
| Molecular Weight: | 419.93 |
| Molecular Formula: | C23 H18 Cl N3 O S |
| Smiles: | C(c1ccccc1[Cl])SC(=C(/C#N)C(Nc1ccccc1)=O)\Nc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6239 |
| logD: | 5.6231 |
| logSw: | -5.9339 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.077 |
| InChI Key: | QBARWPDALAXCSK-UHFFFAOYSA-N |