6-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}hexanoic acid
Chemical Structure Depiction of
6-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}hexanoic acid
6-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}hexanoic acid
Compound characteristics
| Compound ID: | 2279-3506 |
| Compound Name: | 6-{4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl}hexanoic acid |
| Molecular Weight: | 425.52 |
| Molecular Formula: | C19 H23 N O6 S2 |
| Smiles: | COc1cc(\C=C2/C(N(CCCCCC(O)=O)C(=S)S2)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7717 |
| logD: | -0.0565 |
| logSw: | -2.9166 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.054 |
| InChI Key: | IVQFOPBPIIFIPF-UHFFFAOYSA-N |