N-{5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-4-nitrobenzamide
N-{5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1682-9713 |
| Compound Name: | N-{5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-4-nitrobenzamide |
| Molecular Weight: | 415.44 |
| Molecular Formula: | C18 H13 N3 O5 S2 |
| Smiles: | COc1cccc(/C=C2/C(N(C(=S)S2)NC(c2ccc(cc2)[N+]([O-])=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0585 |
| logD: | 3.0217 |
| logSw: | -3.5793 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.769 |
| InChI Key: | XEJFYIHFYLVEFJ-UHFFFAOYSA-N |