(5-{[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Chemical Structure Depiction of
(5-{[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | 6000-0891 |
| Compound Name: | (5-{[3-(3-fluoro-4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 453.51 |
| Molecular Formula: | C22 H16 F N3 O3 S2 |
| Smiles: | Cc1ccc(cc1F)c1c(/C=C2/C(N(CC(O)=O)C(=S)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5981 |
| logD: | 0.4792 |
| logSw: | -3.7502 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.73 |
| InChI Key: | KWPBTAXWJGGWKL-UHFFFAOYSA-N |