3-{5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
3-{5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
3-{5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 1013-0288 |
| Compound Name: | 3-{5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 345.39 |
| Molecular Formula: | C16 H11 N O4 S2 |
| Smiles: | CN1C(/C(=C\c2ccc(c3cccc(c3)C(O)=O)o2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5756 |
| logD: | 0.0629 |
| logSw: | -3.7403 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.458 |
| InChI Key: | RQVQFTISUPZPGU-UHFFFAOYSA-N |