methyl 2-{[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3448-6725 |
| Compound Name: | methyl 2-{[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(2,2,2-trifluoroethoxy)propan-2-yl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 506.42 |
| Molecular Formula: | C18 H20 F6 N2 O6 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(Nc1c(C(=O)OC)c2CCCCc2s1)=O)OCC(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8024 |
| logD: | 4.1323 |
| logSw: | -4.586 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.906 |
| InChI Key: | DUJQTYVYAVDNSX-QGZVFWFLSA-N |