N-{5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}octanamide
Chemical Structure Depiction of
N-{5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}octanamide
N-{5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}octanamide
Compound characteristics
| Compound ID: | 2189-1032 |
| Compound Name: | N-{5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}octanamide |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C18 H21 N3 O4 S2 |
| Smiles: | CCCCCCCC(NN1C(/C(=C/c2ccc(cc2)[N+]([O-])=O)SC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.494 |
| logD: | 4.4927 |
| logSw: | -4.418 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.283 |
| InChI Key: | IYAUMDBHRRNICE-UHFFFAOYSA-N |