3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(4-ethylanilino)prop-2-enamide
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(4-ethylanilino)prop-2-enamide
3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(4-ethylanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0107 |
| Compound Name: | 3-{[(2-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(4-ethylanilino)prop-2-enamide |
| Molecular Weight: | 371.89 |
| Molecular Formula: | C19 H18 Cl N3 O S |
| Smiles: | CCc1ccc(cc1)N/C(=C(/C#N)C(N)=O)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6753 |
| logD: | 4.6735 |
| logSw: | -4.6213 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.045 |
| InChI Key: | PYQOEDMPASNELF-UHFFFAOYSA-N |