4-{[3-(1-carboxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[3-(1-carboxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
4-{[3-(1-carboxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 6291-0058 |
| Compound Name: | 4-{[3-(1-carboxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid |
| Molecular Weight: | 337.37 |
| Molecular Formula: | C14 H11 N O5 S2 |
| Smiles: | CC(C(O)=O)N1C(/C(=C/c2ccc(cc2)C(O)=O)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7983 |
| logD: | -1.8086 |
| logSw: | -2.2405 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.871 |
| InChI Key: | ZESOFMKNZLWPSB-ZETCQYMHSA-N |