ethyl 3-{7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
ethyl 3-{7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
Compound characteristics
| Compound ID: | Y040-3933 |
| Compound Name: | ethyl 3-{7-[(6-chloro-2H-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoate |
| Molecular Weight: | 458.89 |
| Molecular Formula: | C24 H23 Cl O7 |
| Smiles: | CCOC(CCC1=C(C)c2ccc(c(C)c2OC1=O)OCc1cc2c(cc1[Cl])OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4381 |
| logD: | 5.4381 |
| logSw: | -5.9417 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.433 |
| InChI Key: | YVRRWAUEHHPXJV-UHFFFAOYSA-N |