4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)-2-methoxyphenyl benzoate
Chemical Structure Depiction of
4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)-2-methoxyphenyl benzoate
4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)-2-methoxyphenyl benzoate
Compound characteristics
| Compound ID: | D313-0001 |
| Compound Name: | 4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)-2-methoxyphenyl benzoate |
| Molecular Weight: | 444.48 |
| Molecular Formula: | C27 H24 O6 |
| Smiles: | CCOC1=CC(=CC(c2c1c(C)oc2C)=O)c1ccc(c(c1)OC)OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1965 |
| logD: | 5.1965 |
| logSw: | -5.2298 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.355 |
| InChI Key: | ANINBTJSMWSFBX-UHFFFAOYSA-N |