6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-chlorobenzoate
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-chlorobenzoate
6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-chlorobenzoate
Compound characteristics
| Compound ID: | D132-0061 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 2-chlorobenzoate |
| Molecular Weight: | 448.86 |
| Molecular Formula: | C25 H17 Cl O6 |
| Smiles: | Cc1c2C(=CC(=CC(c2c(C)o1)=O)c1ccc2c(c1)OCO2)OC(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5247 |
| logD: | 5.5247 |
| logSw: | -5.9456 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.63 |
| InChI Key: | RPEIVJFFBSGXRV-UHFFFAOYSA-N |