4-(4-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)benzoic acid
Chemical Structure Depiction of
4-(4-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)benzoic acid
4-(4-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)benzoic acid
Compound characteristics
| Compound ID: | 3324-0487 |
| Compound Name: | 4-(4-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}butanamido)benzoic acid |
| Molecular Weight: | 505.41 |
| Molecular Formula: | C21 H17 Br N2 O4 S2 |
| Smiles: | C(CC(Nc1ccc(cc1)C(O)=O)=O)CN1C(/C(=C/c2cccc(c2)[Br])SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2287 |
| logD: | 1.8335 |
| logSw: | -4.1766 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.978 |
| InChI Key: | AGSCITYXEINWRX-UHFFFAOYSA-N |