6-(3,4-dimethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate
Chemical Structure Depiction of
6-(3,4-dimethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate
6-(3,4-dimethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate
Compound characteristics
| Compound ID: | D132-0052 |
| Compound Name: | 6-(3,4-dimethoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate |
| Molecular Weight: | 444.48 |
| Molecular Formula: | C27 H24 O6 |
| Smiles: | Cc1cccc(c1)C(=O)OC1=CC(=CC(c2c1c(C)oc2C)=O)c1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7433 |
| logD: | 4.7433 |
| logSw: | -4.8751 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.776 |
| InChI Key: | JTBRGKRYWGMSQU-UHFFFAOYSA-N |