6-(3,4-dimethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-chlorobenzoate
Chemical Structure Depiction of
6-(3,4-dimethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-chlorobenzoate
6-(3,4-dimethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-chlorobenzoate
Compound characteristics
| Compound ID: | D132-0047 |
| Compound Name: | 6-(3,4-dimethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-chlorobenzoate |
| Molecular Weight: | 464.9 |
| Molecular Formula: | C26 H21 Cl O6 |
| Smiles: | Cc1c2C(=CC(=CC(c2c(C)o1)=O)c1ccc(c(c1)OC)OC)OC(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2265 |
| logD: | 5.2265 |
| logSw: | -5.7451 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.776 |
| InChI Key: | BIPNZTFAYJLSFW-UHFFFAOYSA-N |