6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-chlorobenzoate
Chemical Structure Depiction of
6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-chlorobenzoate
6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-chlorobenzoate
Compound characteristics
Compound ID: | 6557-0193 |
Compound Name: | 6-(4-ethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-chlorobenzoate |
Molecular Weight: | 448.9 |
Molecular Formula: | C26 H21 Cl O5 |
Smiles: | CCOc1ccc(cc1)C1=CC(c2c(C(=C1)OC(c1ccc(cc1)[Cl])=O)c(C)oc2C)=O |
Stereo: | ACHIRAL |
logP: | 5.8222 |
logD: | 5.8222 |
logSw: | -6.2734 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 48.638 |
InChI Key: | ROSACJBKHNMULA-UHFFFAOYSA-N |