6-(5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
Chemical Structure Depiction of
6-(5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
6-(5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
Compound characteristics
| Compound ID: | 2279-3522 |
| Compound Name: | 6-(5-{[4-(methoxycarbonyl)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C18 H19 N O5 S2 |
| Smiles: | COC(c1ccc(/C=C2/C(N(CCCCCC(O)=O)C(=S)S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1134 |
| logD: | 0.2852 |
| logSw: | -3.2502 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.25 |
| InChI Key: | QSOMFEQSSASVFM-UHFFFAOYSA-N |