4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenyl 2-fluorobenzoate
Chemical Structure Depiction of
4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenyl 2-fluorobenzoate
4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenyl 2-fluorobenzoate
Compound characteristics
| Compound ID: | D313-0111 |
| Compound Name: | 4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenyl 2-fluorobenzoate |
| Molecular Weight: | 432.45 |
| Molecular Formula: | C26 H21 F O5 |
| Smiles: | CCOC1=CC(=CC(c2c1c(C)oc2C)=O)c1ccc(cc1)OC(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4585 |
| logD: | 5.4585 |
| logSw: | -5.5395 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.638 |
| InChI Key: | YNNSCAXRTKKBPC-UHFFFAOYSA-N |