6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate
Chemical Structure Depiction of
6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate
6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate
Compound characteristics
| Compound ID: | D132-0072 |
| Compound Name: | 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C26 H22 O5 |
| Smiles: | Cc1cccc(c1)C(=O)OC1=CC(=CC(c2c1c(C)oc2C)=O)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.0917 |
| logD: | 5.0917 |
| logSw: | -5.1277 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.058 |
| InChI Key: | RXZAPZYUDSBNPB-UHFFFAOYSA-N |