4-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
4-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid
4-{5-[(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 1690-0083 |
| Compound Name: | 4-{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(c2ccc(cc2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.0716 |
| logD: | 1.3438 |
| logSw: | -4.6147 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.378 |
| InChI Key: | TUTOSSAWRZMQLM-UHFFFAOYSA-N |