2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-oxo-2-(piperidin-1-yl)ethyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-oxo-2-(piperidin-1-yl)ethyl]-2H-1,4-benzothiazin-3(4H)-one
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-oxo-2-(piperidin-1-yl)ethyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C312-1696 |
| Compound Name: | 2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-oxo-2-(piperidin-1-yl)ethyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 487.41 |
| Molecular Formula: | C23 H23 Br N2 O3 S |
| Smiles: | COc1ccc(\C=C2/C(N(CC(N3CCCCC3)=O)c3ccccc3S2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.3341 |
| logD: | 4.3341 |
| logSw: | -4.3151 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.092 |
| InChI Key: | JINYGGZSEFVCAF-UHFFFAOYSA-N |