N-{5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-nitrobenzamide
N-{5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | 3232-1392 |
| Compound Name: | N-{5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-nitrobenzamide |
| Molecular Weight: | 431.44 |
| Molecular Formula: | C18 H13 N3 O6 S2 |
| Smiles: | COc1cc(/C=C2/C(N(C(=S)S2)NC(c2ccccc2[N+]([O-])=O)=O)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 1.9003 |
| logD: | 0.6499 |
| logSw: | -2.7646 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.103 |
| InChI Key: | GSKGEQJPCDEOAS-UHFFFAOYSA-N |