3-(5-{[3-(3-nitrophenyl)-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-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
3-(5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | 4476-4380 |
| Compound Name: | 3-(5-{[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 480.52 |
| Molecular Formula: | C22 H16 N4 O5 S2 |
| Smiles: | C(CN1C(/C(=C/c2cn(c3ccccc3)nc2c2cccc(c2)[N+]([O-])=O)SC1=S)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2881 |
| logD: | 0.7555 |
| logSw: | -3.5009 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.09 |
| InChI Key: | RXSFNMIIAHCXFZ-UHFFFAOYSA-N |