ethyl 2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4258-0038 |
| Compound Name: | ethyl 2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 321.32 |
| Molecular Formula: | C13 H14 F3 N O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4016 |
| logD: | -2.6908 |
| logSw: | -3.7805 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.07 |
| InChI Key: | HLLYMVAOPJHCIP-UHFFFAOYSA-N |