2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-benzothiophen-3(2H)-one
2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 1690-0049 |
| Compound Name: | 2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 412.1 |
| Molecular Formula: | C15 H8 Br2 O2 S |
| Smiles: | C(=C1/C(c2ccccc2S1)=O)\c1cc(c(c(c1)[Br])O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6145 |
| logD: | 4.1944 |
| logSw: | -4.4516 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.879 |
| InChI Key: | WPZUSUPVESNIOU-UHFFFAOYSA-N |