methyl 2-{[1,1,1-trifluoro-3-methoxy-3-oxo-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-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-{[1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8014-6047 |
| Compound Name: | methyl 2-{[1,1,1-trifluoro-3-methoxy-3-oxo-2-(2-phenylacetamido)propan-2-yl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 498.52 |
| Molecular Formula: | C23 H25 F3 N2 O5 S |
| Smiles: | COC(c1c2CCCCCc2sc1NC(C(=O)OC)(C(F)(F)F)NC(Cc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8197 |
| logD: | 3.6326 |
| logSw: | -4.7743 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.707 |
| InChI Key: | NBUFFNIRFBQALV-JOCHJYFZSA-N |