3-[5-({3-[2-methyl-5-(propan-2-yl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Chemical Structure Depiction of
3-[5-({3-[2-methyl-5-(propan-2-yl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
3-[5-({3-[2-methyl-5-(propan-2-yl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Compound characteristics
| Compound ID: | Y070-1117 |
| Compound Name: | 3-[5-({3-[2-methyl-5-(propan-2-yl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C26 H25 N3 O3 S2 |
| Smiles: | CC(C)c1ccc(C)c(c1)c1c(/C=C2/C(N(CCC(O)=O)C(=S)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2208 |
| logD: | 2.6882 |
| logSw: | -4.8402 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.709 |
| InChI Key: | HTRGISJXWCFPSG-UHFFFAOYSA-N |