methyl 6-methyl-2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-methyl-2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-methyl-2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2798-0028 |
| Compound Name: | methyl 6-methyl-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: | CC1CCc2c(C(=O)OC)c(NC(C(F)(F)F)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4532 |
| logD: | -2.6391 |
| logSw: | -3.9261 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.49 |
| InChI Key: | QJOXFIPCOSPCBY-ZCFIWIBFSA-N |