ethyl 6-tert-butyl-2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-tert-butyl-2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-tert-butyl-2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0350 |
| Compound Name: | ethyl 6-tert-butyl-2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C17 H22 F3 N O3 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(C(F)(F)F)=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9588 |
| logD: | -1.1335 |
| logSw: | -4.6648 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.07 |
| InChI Key: | JDVMNQLTEAELRP-SECBINFHSA-N |