2-[4-(5-{3-[4-(2-carboxyanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanamido]benzoic acid
Chemical Structure Depiction of
2-[4-(5-{3-[4-(2-carboxyanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanamido]benzoic acid
2-[4-(5-{3-[4-(2-carboxyanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanamido]benzoic acid
Compound characteristics
| Compound ID: | 3232-0776 |
| Compound Name: | 2-[4-(5-{3-[4-(2-carboxyanilino)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanamido]benzoic acid |
| Molecular Weight: | 672.78 |
| Molecular Formula: | C28 H24 N4 O8 S4 |
| Smiles: | C(CC(Nc1ccccc1C(O)=O)=O)CN1C(/C(=C2/C(N(CCCC(Nc3ccccc3C(O)=O)=O)C(=S)S2)=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.145 |
| logD: | -1.2679 |
| logSw: | -3.5365 |
| Hydrogen bond acceptors count: | 20 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 134.594 |
| InChI Key: | BSKMIMJIBZAUHB-UHFFFAOYSA-N |