methyl 2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1630-0718 |
| Compound Name: | methyl 2-(2,2,2-trifluoroacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 307.29 |
| Molecular Formula: | C12 H12 F3 N O3 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0193 |
| logD: | -3.0731 |
| logSw: | -3.3261 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.49 |
| InChI Key: | AUBUTUXRWIGHTD-UHFFFAOYSA-N |