{5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Chemical Structure Depiction of
{5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
{5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Compound characteristics
| Compound ID: | 6000-1315 |
| Compound Name: | {5-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid |
| Molecular Weight: | 421.49 |
| Molecular Formula: | C21 H15 N3 O3 S2 |
| Smiles: | C(C(O)=O)N1C(/C(=C/c2cn(c3ccccc3)nc2c2ccccc2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7371 |
| logD: | -0.3819 |
| logSw: | -3.0126 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.73 |
| InChI Key: | QFQDHIXYDLKLMU-UHFFFAOYSA-N |