3-benzyl-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-benzyl-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3-benzyl-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 2476-0026 |
| Compound Name: | 3-benzyl-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C18 H14 N2 O5 S2 |
| Smiles: | COc1cc(/C=C2/C(N(Cc3ccccc3)C(=S)S2)=O)cc(c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.949 |
| logD: | 2.8751 |
| logSw: | -4.0737 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.632 |
| InChI Key: | NCGDYMXELPWCLV-UHFFFAOYSA-N |