methyl 2-{[1,1,1,3,3,3-hexafluoro-2-(2-phenylacetamido)propan-2-yl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[1,1,1,3,3,3-hexafluoro-2-(2-phenylacetamido)propan-2-yl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-{[1,1,1,3,3,3-hexafluoro-2-(2-phenylacetamido)propan-2-yl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8014-6045 |
| Compound Name: | methyl 2-{[1,1,1,3,3,3-hexafluoro-2-(2-phenylacetamido)propan-2-yl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 508.48 |
| Molecular Formula: | C22 H22 F6 N2 O3 S |
| Smiles: | COC(c1c2CCCCCc2sc1NC(C(F)(F)F)(C(F)(F)F)NC(Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7095 |
| logD: | 0.7009 |
| logSw: | -5.4646 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.533 |
| InChI Key: | ZGYMUAQMOWGJNJ-UHFFFAOYSA-N |