2-cyano-3-(4-ethylanilino)-3-(methylsulfanyl)prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-(4-ethylanilino)-3-(methylsulfanyl)prop-2-enamide
2-cyano-3-(4-ethylanilino)-3-(methylsulfanyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0092 |
| Compound Name: | 2-cyano-3-(4-ethylanilino)-3-(methylsulfanyl)prop-2-enamide |
| Molecular Weight: | 261.34 |
| Molecular Formula: | C13 H15 N3 O S |
| Smiles: | CCc1ccc(cc1)N/C(=C(/C#N)C(N)=O)SC |
| Stereo: | ACHIRAL |
| logP: | 2.5302 |
| logD: | 2.5172 |
| logSw: | -2.8979 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.317 |
| InChI Key: | YHKZNOPKEZKHCV-UHFFFAOYSA-N |