5-[(4-tert-butylphenyl)methylidene]-3-(4-ethoxyphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methylidene]-3-(4-ethoxyphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
5-[(4-tert-butylphenyl)methylidene]-3-(4-ethoxyphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
Compound characteristics
| Compound ID: | K506-0032 |
| Compound Name: | 5-[(4-tert-butylphenyl)methylidene]-3-(4-ethoxyphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione |
| Molecular Weight: | 520.6 |
| Molecular Formula: | C28 H28 N2 O6 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2cccc(c2)[N+]([O-])=O)S(C(=C\c2ccc(cc2)C(C)(C)C)\C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0363 |
| logD: | 6.0363 |
| logSw: | -5.5307 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.042 |
| InChI Key: | FBWCTIPRLTZVNU-MHZLTWQESA-N |