N-[3-(azepan-1-yl)propyl]-2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
N-[3-(azepan-1-yl)propyl]-2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-5820 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-{2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide |
| Molecular Weight: | 558.54 |
| Molecular Formula: | C27 H32 Br N3 O3 S |
| Smiles: | COc1ccc(\C=C2/C(N(CC(NCCCN3CCCCCC3)=O)c3ccccc3S2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.623 |
| logD: | 1.9944 |
| logSw: | -4.0859 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.326 |
| InChI Key: | CVTGCXQUKXCVJA-UHFFFAOYSA-N |