3,3'-[(3-bromo-4-fluorophenyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one)
Chemical Structure Depiction of
3,3'-[(3-bromo-4-fluorophenyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one)
3,3'-[(3-bromo-4-fluorophenyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one)
Compound characteristics
| Compound ID: | K815-0180 |
| Compound Name: | 3,3'-[(3-bromo-4-fluorophenyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one) |
| Molecular Weight: | 509.28 |
| Molecular Formula: | C25 H14 Br F O6 |
| Smiles: | c1ccc2c(c1)C(=C(C(C1=C(c3ccccc3OC1=O)O)c1ccc(c(c1)[Br])F)C(=O)O2)O |
| Stereo: | ACHIRAL |
| logP: | 3.8136 |
| logD: | 0.9579 |
| logSw: | -4.0437 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.681 |
| InChI Key: | CVXQYWWMHOGMFI-UHFFFAOYSA-N |