4-{[3-(1-carboxy-2-phenylethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[3-(1-carboxy-2-phenylethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
4-{[3-(1-carboxy-2-phenylethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 3331-2541 |
| Compound Name: | 4-{[3-(1-carboxy-2-phenylethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C20 H15 N O5 S2 |
| Smiles: | C(C(C(O)=O)N1C(/C(=C/c2ccc(cc2)C(O)=O)SC1=S)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5001 |
| logD: | -0.1067 |
| logSw: | -3.6381 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.184 |
| InChI Key: | HXKDFHZVIKNBSQ-HNNXBMFYSA-N |