6-{5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoic acid
Chemical Structure Depiction of
6-{5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoic acid
6-{5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoic acid
Compound characteristics
| Compound ID: | 3453-1626 |
| Compound Name: | 6-{5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}hexanoic acid |
| Molecular Weight: | 460.36 |
| Molecular Formula: | C17 H18 Br N O5 S2 |
| Smiles: | COc1cc(\C=C2/C(N(CCCCCC(O)=O)C(=S)S2)=O)cc(c1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.9833 |
| logD: | 0.1551 |
| logSw: | -3.0164 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.186 |
| InChI Key: | OJBSIOJULVXBBJ-UHFFFAOYSA-N |