3-{7-[(4-bromo-2-fluorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Chemical Structure Depiction of
3-{7-[(4-bromo-2-fluorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
3-{7-[(4-bromo-2-fluorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid
Compound characteristics
| Compound ID: | D715-1118 |
| Compound Name: | 3-{7-[(4-bromo-2-fluorophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoic acid |
| Molecular Weight: | 449.27 |
| Molecular Formula: | C21 H18 Br F O5 |
| Smiles: | CC1=C(CCC(O)=O)C(=O)Oc2c1ccc(c2C)OCc1ccc(cc1F)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8175 |
| logD: | 2.3212 |
| logSw: | -4.5643 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.542 |
| InChI Key: | IMVNNUIMTGKSKX-UHFFFAOYSA-N |