6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-tert-butylbenzoate
Chemical Structure Depiction of
6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-tert-butylbenzoate
6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-tert-butylbenzoate
Compound characteristics
| Compound ID: | D132-0074 |
| Compound Name: | 6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-tert-butylbenzoate |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C29 H28 O5 |
| Smiles: | Cc1c2C(=CC(=CC(c2c(C)o1)=O)c1ccc(cc1)OC)OC(c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6353 |
| logD: | 6.6353 |
| logSw: | -5.9581 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.058 |
| InChI Key: | PQXMDOGBSZQQCT-UHFFFAOYSA-N |