{5-[(5-benzyl-2-hydroxy-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Chemical Structure Depiction of
{5-[(5-benzyl-2-hydroxy-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
{5-[(5-benzyl-2-hydroxy-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Compound characteristics
| Compound ID: | 2533-1232 |
| Compound Name: | {5-[(5-benzyl-2-hydroxy-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid |
| Molecular Weight: | 430.46 |
| Molecular Formula: | C19 H14 N2 O6 S2 |
| Smiles: | C(c1ccccc1)c1cc(\C=C2/C(N(CC(O)=O)C(=S)S2)=O)c(c(c1)[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.0025 |
| logD: | -0.1164 |
| logSw: | -3.4664 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.386 |
| InChI Key: | AYYZGBLLDDNXII-UHFFFAOYSA-N |