5-bromo-2-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
5-bromo-2-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid
5-bromo-2-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 5812-0611 |
| Compound Name: | 5-bromo-2-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 427.27 |
| Molecular Formula: | C20 H11 Br O4 S |
| Smiles: | C(=C1/C(c2ccccc2S1)=O)\c1ccc(c2ccc(cc2C(O)=O)[Br])o1 |
| Stereo: | ACHIRAL |
| logP: | 5.7894 |
| logD: | 1.6103 |
| logSw: | -5.6891 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.378 |
| InChI Key: | YUGDJXPDQBBXSE-UHFFFAOYSA-N |