4-(methylsulfanyl)-2-(5-{[4-(octyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Chemical Structure Depiction of
4-(methylsulfanyl)-2-(5-{[4-(octyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
4-(methylsulfanyl)-2-(5-{[4-(octyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Compound characteristics
| Compound ID: | 6275-3478 |
| Compound Name: | 4-(methylsulfanyl)-2-(5-{[4-(octyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid |
| Molecular Weight: | 481.69 |
| Molecular Formula: | C23 H31 N O4 S3 |
| Smiles: | CCCCCCCCOc1ccc(/C=C2/C(N(C(CCSC)C(O)=O)C(=S)S2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0644 |
| logD: | 3.2135 |
| logSw: | -5.2075 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.465 |
| InChI Key: | XIIZGDFYPLQGGI-IBGZPJMESA-N |