3-(5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Chemical Structure Depiction of
3-(5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
3-(5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | 3057-0993 |
| Compound Name: | 3-(5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 429.51 |
| Molecular Formula: | C21 H19 N O5 S2 |
| Smiles: | COc1cc(/C=C2/C(N(CCC(O)=O)C(=S)S2)=O)ccc1OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7992 |
| logD: | 0.2666 |
| logSw: | -3.2422 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.021 |
| InChI Key: | ZPPKKFFFNYMUPD-UHFFFAOYSA-N |