3-(2H-1,3-benzodioxol-5-yl)-5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-imino-1,3-thiazolidin-4-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-imino-1,3-thiazolidin-4-one
3-(2H-1,3-benzodioxol-5-yl)-5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-imino-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 3601-0400 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-imino-1,3-thiazolidin-4-one |
| Molecular Weight: | 447.26 |
| Molecular Formula: | C18 H11 Br N2 O5 S |
| Smiles: | C1Oc2ccc(cc2O1)N1C(=N)SC(=C/c2cc3c(cc2[Br])OCO3)\C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.6839 |
| logD: | 3.6839 |
| logSw: | -4.087 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.6 |
| InChI Key: | WBHOXNCTNKCSJI-UHFFFAOYSA-N |