2-{5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}pentanedioic acid
Chemical Structure Depiction of
2-{5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}pentanedioic acid
2-{5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}pentanedioic acid
Compound characteristics
| Compound ID: | 3453-0001 |
| Compound Name: | 2-{5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}pentanedioic acid |
| Molecular Weight: | 397.42 |
| Molecular Formula: | C16 H15 N O7 S2 |
| Smiles: | COc1cc(/C=C2/C(N(C(CCC(O)=O)C(O)=O)C(=S)S2)=O)ccc1O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2423 |
| logD: | -2.8964 |
| logSw: | -1.8822 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.61 |
| InChI Key: | UMYYNCKLFGSTRQ-VIFPVBQESA-N |