ethyl 3-{7-[(4-bromo-2-fluorophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{7-[(4-bromo-2-fluorophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
ethyl 3-{7-[(4-bromo-2-fluorophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
Compound characteristics
| Compound ID: | Y040-3907 |
| Compound Name: | ethyl 3-{7-[(4-bromo-2-fluorophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoate |
| Molecular Weight: | 463.3 |
| Molecular Formula: | C22 H20 Br F O5 |
| Smiles: | CCOC(CCC1=C(C)c2ccc(cc2OC1=O)OCc1ccc(cc1F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2604 |
| logD: | 5.2604 |
| logSw: | -5.1442 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.546 |
| InChI Key: | CXRXQSQBALYFMZ-UHFFFAOYSA-N |