ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-(3-methylbutanamido)alaninate
Chemical Structure Depiction of
ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-(3-methylbutanamido)alaninate
ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-(3-methylbutanamido)alaninate
Compound characteristics
| Compound ID: | 3448-6650 |
| Compound Name: | ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-(3-methylbutanamido)alaninate |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C18 H24 F3 N3 O3 S |
| Smiles: | CCc1c(C#N)c(NC(C(=O)OCC)(C(F)(F)F)NC(CC(C)C)=O)sc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6055 |
| logD: | 4.2239 |
| logSw: | -4.3488 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.189 |
| InChI Key: | VRZOKRZWVVZDNI-QGZVFWFLSA-N |