2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(2-ethoxyanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(2-ethoxyanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(2-ethoxyanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | K291-0123 |
| Compound Name: | 2-cyano-3-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-(2-ethoxyanilino)-N-[(thiophen-2-yl)methyl]prop-2-enamide |
| Molecular Weight: | 477.65 |
| Molecular Formula: | C26 H27 N3 O2 S2 |
| Smiles: | CCOc1ccccc1N/C(=C(/C#N)C(NCc1cccs1)=O)SCc1ccc(C)cc1C |
| Stereo: | ACHIRAL |
| logP: | 6.5473 |
| logD: | 6.454 |
| logSw: | -5.5242 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.93 |
| InChI Key: | VUYMDECBUYTFPH-UHFFFAOYSA-N |