4-(3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)-2-hydroxybenzoic acid
Chemical Structure Depiction of
4-(3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)-2-hydroxybenzoic acid
4-(3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)-2-hydroxybenzoic acid
Compound characteristics
| Compound ID: | 3643-0690 |
| Compound Name: | 4-(3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)-2-hydroxybenzoic acid |
| Molecular Weight: | 472.49 |
| Molecular Formula: | C21 H16 N2 O7 S2 |
| Smiles: | C(CN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)C(Nc1ccc(C(O)=O)c(c1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6826 |
| logD: | 0.6537 |
| logSw: | -3.7691 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.642 |
| InChI Key: | LZVOLMPEQHQNLD-UHFFFAOYSA-N |