N-{5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl}-3-nitrobenzamide
N-{5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2159-0021 |
| Compound Name: | N-{5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl}-3-nitrobenzamide |
| Molecular Weight: | 445.47 |
| Molecular Formula: | C19 H15 N3 O6 S2 |
| Smiles: | CCOc1cc(\C=C2/C(N(C(=O)S2)NC(c2cccc(c2)[N+]([O-])=O)=O)=S)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 3.4496 |
| logD: | 3.1896 |
| logSw: | -3.4544 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.91 |
| InChI Key: | RQKFPRJLLCBWRS-UHFFFAOYSA-N |