4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)-2-methoxyphenyl 2-chlorobenzoate
Chemical Structure Depiction of
4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)-2-methoxyphenyl 2-chlorobenzoate
4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)-2-methoxyphenyl 2-chlorobenzoate
Compound characteristics
| Compound ID: | D313-0009 |
| Compound Name: | 4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)-2-methoxyphenyl 2-chlorobenzoate |
| Molecular Weight: | 478.93 |
| Molecular Formula: | C27 H23 Cl O6 |
| Smiles: | CCOC1=CC(=CC(c2c1c(C)oc2C)=O)c1ccc(c(c1)OC)OC(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0355 |
| logD: | 6.0355 |
| logSw: | -6.0873 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.355 |
| InChI Key: | GADATMKMPUQMCH-UHFFFAOYSA-N |