methyl 6-ethyl-2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-ethyl-2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-ethyl-2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0709 |
| Compound Name: | methyl 6-ethyl-2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 335.34 |
| Molecular Formula: | C14 H16 F3 N O3 S |
| Smiles: | CCC1CCc2c(C(=O)OC)c(NC(C(F)(F)F)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9987 |
| logD: | -2.0937 |
| logSw: | -4.4375 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.49 |
| InChI Key: | LXTBYCAYUHXEPT-SSDOTTSWSA-N |