6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate
Chemical Structure Depiction of
6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate
6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate
Compound characteristics
| Compound ID: | D132-0077 |
| Compound Name: | 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate |
| Molecular Weight: | 428.48 |
| Molecular Formula: | C27 H24 O5 |
| Smiles: | CCOc1ccc(cc1)C1=CC(c2c(C(=C1)OC(c1cccc(C)c1)=O)c(C)oc2C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4783 |
| logD: | 5.4783 |
| logSw: | -5.5204 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.638 |
| InChI Key: | PTEGWDQMZICGFX-UHFFFAOYSA-N |