2-(5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-3-methylbutanoic acid
Chemical Structure Depiction of
2-(5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-3-methylbutanoic acid
2-(5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-3-methylbutanoic acid
Compound characteristics
| Compound ID: | 3331-2417 |
| Compound Name: | 2-(5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-3-methylbutanoic acid |
| Molecular Weight: | 379.45 |
| Molecular Formula: | C17 H17 N O5 S2 |
| Smiles: | CC(C)C(C(O)=O)N1C(/C(=C/c2ccc(cc2)C(=O)OC)SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0156 |
| logD: | 0.1955 |
| logSw: | -3.2005 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.257 |
| InChI Key: | HWEKDGAYBHWPNY-ZDUSSCGKSA-N |