4-[2-(azepan-1-yl)-2-oxoethyl]-2-[(3-bromo-4-methoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(azepan-1-yl)-2-oxoethyl]-2-[(3-bromo-4-methoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
4-[2-(azepan-1-yl)-2-oxoethyl]-2-[(3-bromo-4-methoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-5808 |
| Compound Name: | 4-[2-(azepan-1-yl)-2-oxoethyl]-2-[(3-bromo-4-methoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 501.44 |
| Molecular Formula: | C24 H25 Br N2 O3 S |
| Smiles: | COc1ccc(\C=C2/C(N(CC(N3CCCCCC3)=O)c3ccccc3S2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.83 |
| logD: | 4.83 |
| logSw: | -4.5288 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.424 |
| InChI Key: | BJXNODYJKBVUAG-UHFFFAOYSA-N |