methyl 2-{[1,1,1,3,3,3-hexafluoro-2-(2-phenylacetamido)propan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[1,1,1,3,3,3-hexafluoro-2-(2-phenylacetamido)propan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[1,1,1,3,3,3-hexafluoro-2-(2-phenylacetamido)propan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
Compound ID: | 8019-0942 |
Compound Name: | methyl 2-{[1,1,1,3,3,3-hexafluoro-2-(2-phenylacetamido)propan-2-yl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular Weight: | 494.45 |
Molecular Formula: | C21 H20 F6 N2 O3 S |
Smiles: | COC(c1c2CCCCc2sc1NC(C(F)(F)F)(C(F)(F)F)NC(Cc1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.2136 |
logD: | 0.205 |
logSw: | -5.2186 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 54.202 |
InChI Key: | OFYNQDFUHAMBPL-UHFFFAOYSA-N |