4-(4-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Chemical Structure Depiction of
4-(4-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
4-(4-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Compound characteristics
| Compound ID: | 4476-3764 |
| Compound Name: | 4-(4-oxo-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid |
| Molecular Weight: | 455.57 |
| Molecular Formula: | C21 H17 N3 O3 S3 |
| Smiles: | C(CC(O)=O)CN1C(/C(=C/c2cn(c3ccccc3)nc2c2cccs2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5579 |
| logD: | 0.7444 |
| logSw: | -3.5296 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.727 |
| InChI Key: | RJQCDBSTSVHQLN-UHFFFAOYSA-N |