ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(2-phenoxyacetamido)alaninate
Chemical Structure Depiction of
ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(2-phenoxyacetamido)alaninate
ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(2-phenoxyacetamido)alaninate
Compound characteristics
| Compound ID: | 8010-0119 |
| Compound Name: | ethyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(2-phenoxyacetamido)alaninate |
| Molecular Weight: | 481.49 |
| Molecular Formula: | C22 H22 F3 N3 O4 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(COc1ccccc1)=O)Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7826 |
| logD: | 4.413 |
| logSw: | -4.5431 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.337 |
| InChI Key: | KOUPUFXSSNHEHI-OAQYLSRUSA-N |