N-benzyl-2-cyano-3-{[(2,5-difluorophenyl)methyl]sulfanyl}-3-(2-ethoxyanilino)prop-2-enamide
Chemical Structure Depiction of
N-benzyl-2-cyano-3-{[(2,5-difluorophenyl)methyl]sulfanyl}-3-(2-ethoxyanilino)prop-2-enamide
N-benzyl-2-cyano-3-{[(2,5-difluorophenyl)methyl]sulfanyl}-3-(2-ethoxyanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0021 |
| Compound Name: | N-benzyl-2-cyano-3-{[(2,5-difluorophenyl)methyl]sulfanyl}-3-(2-ethoxyanilino)prop-2-enamide |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C26 H23 F2 N3 O2 S |
| Smiles: | CCOc1ccccc1N/C(=C(/C#N)C(NCc1ccccc1)=O)SCc1cc(ccc1F)F |
| Stereo: | ACHIRAL |
| logP: | 5.9769 |
| logD: | 5.9107 |
| logSw: | -5.4306 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.912 |
| InChI Key: | MQUCEDCNVOMKAK-UHFFFAOYSA-N |