2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-1-benzothiophen-3(2H)-one
2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 1542-0032 |
| Compound Name: | 2-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 377.25 |
| Molecular Formula: | C17 H13 Br O3 S |
| Smiles: | COc1cc(\C=C2/C(c3ccccc3S2)=O)c(cc1OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.0363 |
| logD: | 4.0363 |
| logSw: | -4.3409 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 28.6607 |
| InChI Key: | DSCNEIHWAOSEHL-UHFFFAOYSA-N |