ethyl 2-{2-[3-(trifluoromethyl)phenoxy]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[3-(trifluoromethyl)phenoxy]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{2-[3-(trifluoromethyl)phenoxy]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-4201 |
| Compound Name: | ethyl 2-{2-[3-(trifluoromethyl)phenoxy]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 441.47 |
| Molecular Formula: | C21 H22 F3 N O4 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(COc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.466 |
| logD: | 3.2841 |
| logSw: | -5.4293 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.415 |
| InChI Key: | XQLVIQFLYWLGCY-UHFFFAOYSA-N |