6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-tert-butylbenzoate
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-tert-butylbenzoate
6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-tert-butylbenzoate
Compound characteristics
| Compound ID: | D132-0070 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-tert-butylbenzoate |
| Molecular Weight: | 470.52 |
| Molecular Formula: | C29 H26 O6 |
| Smiles: | Cc1c2C(=CC(=CC(c2c(C)o1)=O)c1ccc2c(c1)OCO2)OC(c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5852 |
| logD: | 6.5852 |
| logSw: | -5.7938 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.63 |
| InChI Key: | WTMOLOUANJGQIB-UHFFFAOYSA-N |