methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-(2-phenylacetamido)alaninate
Chemical Structure Depiction of
methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-(2-phenylacetamido)alaninate
methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-(2-phenylacetamido)alaninate
Compound characteristics
| Compound ID: | 8014-3250 |
| Compound Name: | methyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-(2-phenylacetamido)alaninate |
| Molecular Weight: | 439.45 |
| Molecular Formula: | C20 H20 F3 N3 O3 S |
| Smiles: | CCc1c(C#N)c(NC(C(=O)OC)(C(F)(F)F)NC(Cc2ccccc2)=O)sc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2741 |
| logD: | 3.815 |
| logSw: | -4.512 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.338 |
| InChI Key: | AKWQNHIXMIENFW-LJQANCHMSA-N |