ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(2-phenoxyacetamido)alaninate
Chemical Structure Depiction of
ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(2-phenoxyacetamido)alaninate
ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(2-phenoxyacetamido)alaninate
Compound characteristics
| Compound ID: | 8010-0118 |
| Compound Name: | ethyl N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-(2-phenoxyacetamido)alaninate |
| Molecular Weight: | 499.51 |
| Molecular Formula: | C22 H24 F3 N3 O5 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(COc1ccccc1)=O)Nc1c(C(N)=O)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0998 |
| logD: | 2.8993 |
| logSw: | -3.3483 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 95.34 |
| InChI Key: | HEPAUYUIXJCYLL-OAQYLSRUSA-N |