4-(5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Chemical Structure Depiction of
4-(5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
4-(5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Compound characteristics
| Compound ID: | 4476-3762 |
| Compound Name: | 4-(5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid |
| Molecular Weight: | 538.6 |
| Molecular Formula: | C25 H22 N4 O6 S2 |
| Smiles: | CCOc1ccc(cc1[N+]([O-])=O)c1c(/C=C2/C(N(CCCC(O)=O)C(=S)S2)=O)cn(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6571 |
| logD: | 0.8435 |
| logSw: | -3.9338 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100 |
| InChI Key: | CFSKPWWQGMYTLZ-UHFFFAOYSA-N |