ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-propanamidoalaninate
Chemical Structure Depiction of
ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-propanamidoalaninate
ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-propanamidoalaninate
Compound characteristics
| Compound ID: | 3448-6713 |
| Compound Name: | ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-propanamidoalaninate |
| Molecular Weight: | 391.41 |
| Molecular Formula: | C16 H20 F3 N3 O3 S |
| Smiles: | CCC(NC(C(=O)OCC)(C(F)(F)F)Nc1c(C#N)c(CC)c(C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6853 |
| logD: | 3.3037 |
| logSw: | -4.1294 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.189 |
| InChI Key: | FRLBXXPJYRHVER-OAHLLOKOSA-N |