methyl 2-[3-(trifluoromethyl)benzamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(trifluoromethyl)benzamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[3-(trifluoromethyl)benzamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-8615 |
| Compound Name: | methyl 2-[3-(trifluoromethyl)benzamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 397.41 |
| Molecular Formula: | C19 H18 F3 N O3 S |
| Smiles: | COC(c1c2CCCCCc2sc1NC(c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0566 |
| logD: | 0.8837 |
| logSw: | -4.8466 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.549 |
| InChI Key: | FGSMWBCSZNHWOD-UHFFFAOYSA-N |