2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-benzothiophen-3(2H)-one
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 3174-0969 |
| Compound Name: | 2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 363.23 |
| Molecular Formula: | C16 H11 Br O3 S |
| Smiles: | COc1cc(/C=C2/C(c3ccccc3S2)=O)cc(c1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.8707 |
| logD: | 3.793 |
| logSw: | -3.9858 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.509 |
| InChI Key: | TYKPRMJYWXJWMX-UHFFFAOYSA-N |