2-[(3,5-dimethylphenyl)imino]-5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1,3-thiazolidin-4-one
Chemical Structure Depiction of
2-[(3,5-dimethylphenyl)imino]-5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1,3-thiazolidin-4-one
2-[(3,5-dimethylphenyl)imino]-5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 2368-0641 |
| Compound Name: | 2-[(3,5-dimethylphenyl)imino]-5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1,3-thiazolidin-4-one |
| Molecular Weight: | 414.39 |
| Molecular Formula: | C18 H14 N4 O6 S |
| Smiles: | Cc1cc(C)cc(c1)/N=C1/NC(/C(=C\c2cc(cc(c2O)[N+]([O-])=O)[N+]([O-])=O)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2803 |
| logD: | -0.3574 |
| logSw: | -4.2481 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.094 |
| InChI Key: | VOYVRBLQRGXMLV-UHFFFAOYSA-N |