3-(3-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoic acid
Chemical Structure Depiction of
3-(3-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoic acid
3-(3-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoic acid
Compound characteristics
| Compound ID: | 3793-4510 |
| Compound Name: | 3-(3-{5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanamido)benzoic acid |
| Molecular Weight: | 491.38 |
| Molecular Formula: | C20 H15 Br N2 O4 S2 |
| Smiles: | C(CN1C(/C(=C\c2cccc(c2)[Br])SC1=S)=O)C(Nc1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7576 |
| logD: | 1.8718 |
| logSw: | -4.3801 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.978 |
| InChI Key: | ZOWJNTFPIXAIOZ-UHFFFAOYSA-N |