3-{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(2-ethoxyanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(2-ethoxyanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
3-{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(2-ethoxyanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0121 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-2-cyano-3-(2-ethoxyanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 484.04 |
| Molecular Formula: | C24 H22 Cl N3 O2 S2 |
| Smiles: | CCOc1ccccc1N/C(=C(/C#N)C(NCc1cccs1)=O)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.7758 |
| logD: | 5.6823 |
| logSw: | -5.9233 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.93 |
| InChI Key: | FFNKVBIKAJFZET-UHFFFAOYSA-N |