3-(5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Chemical Structure Depiction of
3-(5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
3-(5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | 4476-1433 |
| Compound Name: | 3-(5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C17 H12 N2 O6 S2 |
| Smiles: | C(CN1C(/C(=C/c2ccc(c3cccc(c3)[N+]([O-])=O)o2)SC1=S)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8236 |
| logD: | 0.291 |
| logSw: | -3.2436 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.027 |
| InChI Key: | YDVVFXGGKIVZLQ-UHFFFAOYSA-N |