3-(3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoic acid
Chemical Structure Depiction of
3-(3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoic acid
3-(3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoic acid
Compound characteristics
| Compound ID: | 3643-0602 |
| Compound Name: | 3-(3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoic acid |
| Molecular Weight: | 456.49 |
| Molecular Formula: | C21 H16 N2 O6 S2 |
| Smiles: | C(CN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)C(Nc1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8721 |
| logD: | 0.9863 |
| logSw: | -4.0457 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.094 |
| InChI Key: | ADDVYGKGQOBLPI-UHFFFAOYSA-N |