{5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Chemical Structure Depiction of
{5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
{5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Compound characteristics
| Compound ID: | 0806-0222 |
| Compound Name: | {5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid |
| Molecular Weight: | 408.67 |
| Molecular Formula: | C12 H7 Br Cl N O4 S2 |
| Smiles: | C(C(O)=O)N1C(/C(=C\c2cc(cc(c2O)[Br])[Cl])SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3394 |
| logD: | -0.7796 |
| logSw: | -2.7867 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.577 |
| InChI Key: | CJGNXYFCXBEPDQ-KRXBUXKQSA-N |