6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-bromobenzoate
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-bromobenzoate
6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-bromobenzoate
Compound characteristics
| Compound ID: | D132-0064 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-bromobenzoate |
| Molecular Weight: | 493.31 |
| Molecular Formula: | C25 H17 Br O6 |
| Smiles: | Cc1c2C(=CC(=CC(c2c(C)o1)=O)c1ccc2c(c1)OCO2)OC(c1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3014 |
| logD: | 5.3014 |
| logSw: | -5.4545 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.63 |
| InChI Key: | WBTUNQZWTAWLCL-UHFFFAOYSA-N |