ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-(2-fluorobenzamido)alaninate
Chemical Structure Depiction of
ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-(2-fluorobenzamido)alaninate
ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-(2-fluorobenzamido)alaninate
Compound characteristics
| Compound ID: | 8012-2002 |
| Compound Name: | ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-(2-fluorobenzamido)alaninate |
| Molecular Weight: | 457.45 |
| Molecular Formula: | C20 H19 F4 N3 O3 S |
| Smiles: | CCc1c(C#N)c(NC(C(=O)OCC)(C(F)(F)F)NC(c2ccccc2F)=O)sc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.817 |
| logD: | 2.7146 |
| logSw: | -4.7084 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.131 |
| InChI Key: | FZXPYXGYZVRDAA-LJQANCHMSA-N |