2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-cyclooctylacetamide
Chemical Structure Depiction of
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-cyclooctylacetamide
2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-cyclooctylacetamide
Compound characteristics
| Compound ID: | K788-5819 |
| Compound Name: | 2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}-N-cyclooctylacetamide |
| Molecular Weight: | 529.5 |
| Molecular Formula: | C26 H29 Br N2 O3 S |
| Smiles: | COc1ccc(\C=C2/C(N(CC(NC3CCCCCCC3)=O)c3ccccc3S2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.1965 |
| logD: | 6.1965 |
| logSw: | -5.3196 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.228 |
| InChI Key: | OLQPYSRGOKTHIC-UHFFFAOYSA-N |