6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-chlorobenzoate
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-chlorobenzoate
6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-chlorobenzoate
Compound characteristics
| Compound ID: | D132-0063 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-chlorobenzoate |
| Molecular Weight: | 448.86 |
| Molecular Formula: | C25 H17 Cl O6 |
| Smiles: | Cc1c2C(=CC(=CC(c2c(C)o1)=O)c1ccc2c(c1)OCO2)OC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3854 |
| logD: | 5.3854 |
| logSw: | -6.2205 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.63 |
| InChI Key: | VGOIUPPSDPDDOP-UHFFFAOYSA-N |