{4-oxo-5-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Chemical Structure Depiction of
{4-oxo-5-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
{4-oxo-5-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Compound characteristics
| Compound ID: | Y070-1542 |
| Compound Name: | {4-oxo-5-[(1-phenyl-3-{4-[(propan-2-yl)oxy]phenyl}-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C24 H21 N3 O4 S2 |
| Smiles: | CC(C)Oc1ccc(cc1)c1c(/C=C2/C(N(CC(O)=O)C(=S)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5086 |
| logD: | 0.3897 |
| logSw: | -3.6137 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.533 |
| InChI Key: | GDVIPNQQURZDML-UHFFFAOYSA-N |