6-{5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoic acid
Chemical Structure Depiction of
6-{5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoic acid
6-{5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoic acid
Compound characteristics
| Compound ID: | 3453-1632 |
| Compound Name: | 6-{5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoic acid |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C17 H19 N O5 S2 |
| Smiles: | COc1cc(\C=C2/C(N(CCCCCC(O)=O)C(=S)S2)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 2.2044 |
| logD: | -0.6238 |
| logSw: | -2.4289 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.255 |
| InChI Key: | SSAHQDJWKBSLIB-UHFFFAOYSA-N |