3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(4-nitrophenyl)propanamide
Chemical Structure Depiction of
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(4-nitrophenyl)propanamide
3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(4-nitrophenyl)propanamide
Compound characteristics
| Compound ID: | 3643-0606 |
| Compound Name: | 3-{5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-N-(4-nitrophenyl)propanamide |
| Molecular Weight: | 457.48 |
| Molecular Formula: | C20 H15 N3 O6 S2 |
| Smiles: | C(CN1C(/C(=C/c2ccc3c(c2)OCO3)SC1=S)=O)C(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6738 |
| logD: | 3.6678 |
| logSw: | -4.0974 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.067 |
| InChI Key: | JPNYMBYJMXYHII-UHFFFAOYSA-N |