ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[3-(trifluoromethyl)benzamido]alaninate
Chemical Structure Depiction of
ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[3-(trifluoromethyl)benzamido]alaninate
ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[3-(trifluoromethyl)benzamido]alaninate
Compound characteristics
| Compound ID: | 8018-9000 |
| Compound Name: | ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-[3-(trifluoromethyl)benzamido]alaninate |
| Molecular Weight: | 507.45 |
| Molecular Formula: | C21 H19 F6 N3 O3 S |
| Smiles: | CCc1c(C#N)c(NC(C(=O)OCC)(C(F)(F)F)NC(c2cccc(c2)C(F)(F)F)=O)sc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6376 |
| logD: | 3.9314 |
| logSw: | -5.5926 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.131 |
| InChI Key: | OYKGXOQCPBIROO-LJQANCHMSA-N |