6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-fluorobenzoate
Chemical Structure Depiction of
6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-fluorobenzoate
6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-fluorobenzoate
Compound characteristics
| Compound ID: | 6557-0181 |
| Compound Name: | 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-fluorobenzoate |
| Molecular Weight: | 432.45 |
| Molecular Formula: | C26 H21 F O5 |
| Smiles: | CCOc1ccc(cc1)C1=CC(c2c(C(=C1)OC(c1ccccc1F)=O)c(C)oc2C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3813 |
| logD: | 5.3813 |
| logSw: | -5.4907 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.638 |
| InChI Key: | SZSTUHWHYNUPBL-UHFFFAOYSA-N |