6-{5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoic acid
Chemical Structure Depiction of
6-{5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoic acid
6-{5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoic acid
Compound characteristics
| Compound ID: | 3453-1634 |
| Compound Name: | 6-{5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoic acid |
| Molecular Weight: | 414.88 |
| Molecular Formula: | C16 H15 Cl N2 O5 S2 |
| Smiles: | C(CCC(O)=O)CCN1C(/C(=C/c2ccc(c(c2)[N+]([O-])=O)[Cl])SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2268 |
| logD: | 0.3986 |
| logSw: | -3.635 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.157 |
| InChI Key: | VUEMSCYHQRVQLV-UHFFFAOYSA-N |