ethyl 3-{7-[(4-bromophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{7-[(4-bromophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
ethyl 3-{7-[(4-bromophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
Compound characteristics
| Compound ID: | Y040-3895 |
| Compound Name: | ethyl 3-{7-[(4-bromophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoate |
| Molecular Weight: | 459.34 |
| Molecular Formula: | C23 H23 Br O5 |
| Smiles: | CCOC(CCC1=C(C)c2ccc(c(C)c2OC1=O)OCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7902 |
| logD: | 5.7902 |
| logSw: | -5.6238 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.317 |
| InChI Key: | XFCWMGVRAODADZ-UHFFFAOYSA-N |