6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate
6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate
Compound characteristics
| Compound ID: | D132-0068 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-methylbenzoate |
| Molecular Weight: | 428.44 |
| Molecular Formula: | C26 H20 O6 |
| Smiles: | Cc1cccc(c1)C(=O)OC1=CC(=CC(c2c1c(C)oc2C)=O)c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.0415 |
| logD: | 5.0415 |
| logSw: | -4.9444 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.63 |
| InChI Key: | PHVGVWDRIYUBRZ-UHFFFAOYSA-N |