5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-ethoxyphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
Chemical Structure Depiction of
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-ethoxyphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-ethoxyphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione
Compound characteristics
| Compound ID: | K506-0033 |
| Compound Name: | 5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-3-(4-ethoxyphenyl)-2-(3-nitrophenyl)-1lambda~6~,3-thiazolidine-1,1,4-trione |
| Molecular Weight: | 587.4 |
| Molecular Formula: | C25 H19 Br N2 O8 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2cccc(c2)[N+]([O-])=O)S(C(=C\c2cc3c(cc2[Br])OCO3)\C1=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6804 |
| logD: | 4.6804 |
| logSw: | -4.5457 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 102.158 |
| InChI Key: | RWKSKHJWWINMFW-RUZDIDTESA-N |