N-benzyl-2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(2-ethoxyanilino)prop-2-enamide
Chemical Structure Depiction of
N-benzyl-2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(2-ethoxyanilino)prop-2-enamide
N-benzyl-2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(2-ethoxyanilino)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0017 |
| Compound Name: | N-benzyl-2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(2-ethoxyanilino)prop-2-enamide |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C28 H29 N3 O2 S |
| Smiles: | CCOc1ccccc1N/C(=C(/C#N)C(NCc1ccccc1)=O)SCc1ccc(C)cc1C |
| Stereo: | ACHIRAL |
| logP: | 6.5723 |
| logD: | 6.4789 |
| logSw: | -5.5267 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.912 |
| InChI Key: | MXITWQFKPQWWGS-UHFFFAOYSA-N |