benzyl 2-{[3-(3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate
Chemical Structure Depiction of
benzyl 2-{[3-(3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate
benzyl 2-{[3-(3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate
Compound characteristics
| Compound ID: | 5596-0227 |
| Compound Name: | benzyl 2-{[3-(3,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}butanoate |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C28 H26 O6 |
| Smiles: | CCC(C(=O)OCc1ccccc1)Oc1ccc2C(C(=COc2c1)Oc1cc(C)cc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1136 |
| logD: | 6.1136 |
| logSw: | -5.5792 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.1 |
| InChI Key: | FDGIFGNXRNTLSY-DEOSSOPVSA-N |