N-benzyl-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-3-(2-ethoxyanilino)prop-2-enamide
Chemical Structure Depiction of
N-benzyl-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-3-(2-ethoxyanilino)prop-2-enamide
N-benzyl-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-3-(2-ethoxyanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0020 |
| Compound Name: | N-benzyl-3-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-2-cyano-3-(2-ethoxyanilino)prop-2-enamide |
| Molecular Weight: | 496 |
| Molecular Formula: | C26 H23 Cl F N3 O2 S |
| Smiles: | CCOc1ccccc1N/C(=C(/C#N)C(NCc1ccccc1)=O)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 6.2327 |
| logD: | 6.1861 |
| logSw: | -6.0621 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.912 |
| InChI Key: | MGIOOANGQGSTQP-UHFFFAOYSA-N |