2-{5-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
2-{5-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
2-{5-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 3229-2308 |
| Compound Name: | 2-{5-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}benzoic acid |
| Molecular Weight: | 421.49 |
| Molecular Formula: | C22 H15 N O4 S2 |
| Smiles: | C(c1ccccc1)N1C(/C(=C\c2ccc(c3ccccc3C(O)=O)o2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9857 |
| logD: | 0.9328 |
| logSw: | -4.4555 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.42 |
| InChI Key: | PNERZDHCXUYCAR-UHFFFAOYSA-N |