4-(5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Chemical Structure Depiction of
4-(5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
4-(5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid
Compound characteristics
| Compound ID: | 2556-1454 |
| Compound Name: | 4-(5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)butanoic acid |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C18 H14 N2 O6 S2 |
| Smiles: | C(CC(O)=O)CN1C(/C(=C\c2ccc(c3cccc(c3)[N+]([O-])=O)o2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1765 |
| logD: | 0.3629 |
| logSw: | -3.475 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.027 |
| InChI Key: | CBPOKMCVXUYVHW-UHFFFAOYSA-N |