(5-{[4-(benzoyloxy)-3-ethoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Chemical Structure Depiction of
(5-{[4-(benzoyloxy)-3-ethoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
(5-{[4-(benzoyloxy)-3-ethoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
Compound characteristics
| Compound ID: | 8008-8609 |
| Compound Name: | (5-{[4-(benzoyloxy)-3-ethoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C21 H17 N O6 S2 |
| Smiles: | CCOc1cc(\C=C2/C(N(CC(O)=O)C(=S)S2)=O)ccc1OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3475 |
| logD: | -0.7715 |
| logSw: | -2.823 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.772 |
| InChI Key: | IQLFRFPTUNNCGC-UHFFFAOYSA-N |