3-(5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-(5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-1lambda~6~-thiolane-1,1-dione
3-(5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | 1503-0731 |
| Compound Name: | 3-(5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 450.51 |
| Molecular Formula: | C18 H14 N2 O6 S3 |
| Smiles: | C1CS(CC1N1C(/C(=C\c2ccc(c3ccc(cc3)[N+]([O-])=O)o2)SC1=S)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.944 |
| logD: | 2.944 |
| logSw: | -3.4823 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 85.052 |
| InChI Key: | TTWRZZPAKUKQGA-CYBMUJFWSA-N |