3-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
3-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid
3-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 4285-1801 |
| Compound Name: | 3-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C20 H12 O4 S |
| Smiles: | C(=C1/C(c2ccccc2S1)=O)\c1ccc(c2cccc(c2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.0123 |
| logD: | 1.4996 |
| logSw: | -4.6452 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.378 |
| InChI Key: | CGUMWJHNQHUQLW-UHFFFAOYSA-N |