3-(3,5-dimethylphenyl)-2-(3-nitrophenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1lambda~6~,3-thiazolidine-1,1,4-trione
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-2-(3-nitrophenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1lambda~6~,3-thiazolidine-1,1,4-trione
3-(3,5-dimethylphenyl)-2-(3-nitrophenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1lambda~6~,3-thiazolidine-1,1,4-trione
Compound characteristics
| Compound ID: | K506-0101 |
| Compound Name: | 3-(3,5-dimethylphenyl)-2-(3-nitrophenyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1lambda~6~,3-thiazolidine-1,1,4-trione |
| Molecular Weight: | 538.58 |
| Molecular Formula: | C27 H26 N2 O8 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(c2cccc(c2)[N+]([O-])=O)S(C(=C/c2cc(c(cc2OC)OC)OC)\C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.456 |
| logD: | 4.456 |
| logSw: | -4.5149 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 100.81 |
| InChI Key: | ZXCLUJYUMAUFJL-MHZLTWQESA-N |