N-benzyl-2-cyano-3-(2-ethoxyanilino)-3-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide
Chemical Structure Depiction of
N-benzyl-2-cyano-3-(2-ethoxyanilino)-3-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide
N-benzyl-2-cyano-3-(2-ethoxyanilino)-3-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0056 |
| Compound Name: | N-benzyl-2-cyano-3-(2-ethoxyanilino)-3-({[4-(trifluoromethoxy)phenyl]methyl}sulfanyl)prop-2-enamide |
| Molecular Weight: | 527.56 |
| Molecular Formula: | C27 H24 F3 N3 O3 S |
| Smiles: | CCOc1ccccc1N/C(=C(/C#N)C(NCc1ccccc1)=O)SCc1ccc(cc1)OC(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.3973 |
| logD: | 6.3038 |
| logSw: | -5.7413 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.849 |
| InChI Key: | SBRGJDVTAWRESU-UHFFFAOYSA-N |