4-(3-{5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Chemical Structure Depiction of
4-(3-{5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
4-(3-{5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 8014-7781 |
| Compound Name: | 4-(3-{5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2,5-dioxopyrrolidin-1-yl)benzoic acid |
| Molecular Weight: | 472.92 |
| Molecular Formula: | C21 H13 Cl N2 O5 S2 |
| Smiles: | C1C(C(N(C1=O)c1ccc(cc1)C(O)=O)=O)N1C(/C(=C/c2ccc(cc2)[Cl])SC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0951 |
| logD: | 0.6999 |
| logSw: | -3.7101 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.536 |
| InChI Key: | SRMDTIIGNZBGNS-HNNXBMFYSA-N |