ethyl 2-(2-chlorobenzamido)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
ethyl 2-(2-chlorobenzamido)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate
ethyl 2-(2-chlorobenzamido)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8010-5381 |
| Compound Name: | ethyl 2-(2-chlorobenzamido)-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 473.9 |
| Molecular Formula: | C20 H19 Cl F3 N3 O3 S |
| Smiles: | CCc1c(C#N)c(NC(C(=O)OCC)(C(F)(F)F)NC(c2ccccc2[Cl])=O)sc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2893 |
| logD: | 3.1868 |
| logSw: | -5.8141 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.131 |
| InChI Key: | OXVQUKKBOSSRSE-LJQANCHMSA-N |