N-benzyl-2-cyano-3-(2-ethoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Chemical Structure Depiction of
N-benzyl-2-cyano-3-(2-ethoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
N-benzyl-2-cyano-3-(2-ethoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide
Compound characteristics
| Compound ID: | K291-0013 |
| Compound Name: | N-benzyl-2-cyano-3-(2-ethoxyanilino)-3-{[(2-methylphenyl)methyl]sulfanyl}prop-2-enamide |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C27 H27 N3 O2 S |
| Smiles: | CCOc1ccccc1N/C(=C(/C#N)C(NCc1ccccc1)=O)SCc1ccccc1C |
| Stereo: | ACHIRAL |
| logP: | 6.2837 |
| logD: | 6.1904 |
| logSw: | -5.4897 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.912 |
| InChI Key: | NCYKTZABXQILSA-UHFFFAOYSA-N |