2-{5-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-phenylpropanoic acid
Chemical Structure Depiction of
2-{5-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-phenylpropanoic acid
2-{5-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-phenylpropanoic acid
Compound characteristics
| Compound ID: | Y502-7775 |
| Compound Name: | 2-{5-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-3-phenylpropanoic acid |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C18 H17 N3 O3 S2 |
| Smiles: | CCn1cc(\C=C2/C(N(C(Cc3ccccc3)C(O)=O)C(=S)S2)=O)cn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2274 |
| logD: | -0.5962 |
| logSw: | -2.3904 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.278 |
| InChI Key: | ILWLSZVGIPIVLP-AWEZNQCLSA-N |