6-(5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
Chemical Structure Depiction of
6-(5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
6-(5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid
Compound characteristics
| Compound ID: | 3453-1642 |
| Compound Name: | 6-(5-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoic acid |
| Molecular Weight: | 451.6 |
| Molecular Formula: | C22 H29 N O5 S2 |
| Smiles: | CCCCCOc1ccc(/C=C2/C(N(CCCCCC(O)=O)C(=S)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.6665 |
| logD: | 1.8383 |
| logSw: | -4.3621 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.211 |
| InChI Key: | KMUGZJZPEHXVIU-UHFFFAOYSA-N |