5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one
5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | 4896-1111 |
| Compound Name: | 5-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 402.26 |
| Molecular Formula: | C18 H12 Br N O3 S |
| Smiles: | Cc1ccc(cc1)C1=NC(/C(=C/c2cc3c(cc2[Br])OCO3)S1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4366 |
| logD: | 4.4366 |
| logSw: | -4.3345 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.403 |
| InChI Key: | VGRVHZBOILOLOC-UHFFFAOYSA-N |