3-(5-{[4-(hexyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Chemical Structure Depiction of
3-(5-{[4-(hexyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
3-(5-{[4-(hexyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | 3057-0995 |
| Compound Name: | 3-(5-{[4-(hexyloxy)-3-methoxyphenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 423.55 |
| Molecular Formula: | C20 H25 N O5 S2 |
| Smiles: | CCCCCCOc1ccc(/C=C2/C(N(CCC(O)=O)C(=S)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7994 |
| logD: | 1.2668 |
| logSw: | -3.7886 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.211 |
| InChI Key: | MUXQIHVURFUUGH-UHFFFAOYSA-N |