3,3'-[(3-bromo-4-fluorophenyl)methylene]bis(4-hydroxy-2H-1-benzothiopyran-2-one)
Chemical Structure Depiction of
3,3'-[(3-bromo-4-fluorophenyl)methylene]bis(4-hydroxy-2H-1-benzothiopyran-2-one)
3,3'-[(3-bromo-4-fluorophenyl)methylene]bis(4-hydroxy-2H-1-benzothiopyran-2-one)
Compound characteristics
| Compound ID: | 5982-0157 |
| Compound Name: | 3,3'-[(3-bromo-4-fluorophenyl)methylene]bis(4-hydroxy-2H-1-benzothiopyran-2-one) |
| Molecular Weight: | 541.41 |
| Molecular Formula: | C25 H14 Br F O4 S2 |
| Smiles: | c1ccc2c(c1)C(=C(C(C1=C(c3ccccc3SC1=O)O)c1ccc(c(c1)[Br])F)C(=O)S2)O |
| Stereo: | ACHIRAL |
| logP: | 5.6432 |
| logD: | 4.2944 |
| logSw: | -5.7629 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.824 |
| InChI Key: | NQYSCTBSHQKXDS-UHFFFAOYSA-N |