2-(3-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoic acid
Chemical Structure Depiction of
2-(3-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoic acid
2-(3-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoic acid
Compound characteristics
| Compound ID: | 5122-1511 |
| Compound Name: | 2-(3-{5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoic acid |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C21 H18 N2 O4 S2 |
| Smiles: | Cc1ccc(/C=C2/C(N(CCC(Nc3ccccc3C(O)=O)=O)C(=S)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2615 |
| logD: | -0.1515 |
| logSw: | -4.0977 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.28 |
| InChI Key: | AZYMMOXNZWJTJX-UHFFFAOYSA-N |