{5-[(2-chloro-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Chemical Structure Depiction of
{5-[(2-chloro-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
{5-[(2-chloro-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Compound characteristics
| Compound ID: | 1464-0363 |
| Compound Name: | {5-[(2-chloro-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid |
| Molecular Weight: | 358.78 |
| Molecular Formula: | C12 H7 Cl N2 O5 S2 |
| Smiles: | C(C(O)=O)N1C(/C(=C\c2cc(ccc2[Cl])[N+]([O-])=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9395 |
| logD: | -1.1795 |
| logSw: | -2.8549 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.479 |
| InChI Key: | BWPWULDRWQFRMW-UHFFFAOYSA-N |