{5-[(4-bromo-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Chemical Structure Depiction of
{5-[(4-bromo-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
{5-[(4-bromo-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Compound characteristics
| Compound ID: | 4489-2635 |
| Compound Name: | {5-[(4-bromo-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid |
| Molecular Weight: | 403.23 |
| Molecular Formula: | C12 H7 Br N2 O5 S2 |
| Smiles: | C(C(O)=O)N1C(/C(=C\c2ccc(c(c2)[N+]([O-])=O)[Br])SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.762 |
| logD: | -1.357 |
| logSw: | -2.5044 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.178 |
| InChI Key: | PSXXTZOZVKBFHS-UHFFFAOYSA-N |