3-(5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Chemical Structure Depiction of
3-(5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
3-(5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | 2798-2141 |
| Compound Name: | 3-(5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 409.52 |
| Molecular Formula: | C19 H23 N O5 S2 |
| Smiles: | CCCCCOc1ccc(/C=C2/C(N(CCC(O)=O)C(=S)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.3035 |
| logD: | 0.7709 |
| logSw: | -3.3777 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.211 |
| InChI Key: | XJFZYIFEKWGTPS-UHFFFAOYSA-N |