N-[2-(azepan-1-yl)ethyl]-2-{2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-{2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
N-[2-(azepan-1-yl)ethyl]-2-{2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
Compound characteristics
| Compound ID: | C312-0587 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-{2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide |
| Molecular Weight: | 449.61 |
| Molecular Formula: | C26 H31 N3 O2 S |
| Smiles: | Cc1ccc(\C=C2/C(N(CC(NCCN3CCCCCC3)=O)c3ccccc3S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5682 |
| logD: | 3.0826 |
| logSw: | -4.0806 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.696 |
| InChI Key: | MCXSCEVVXGSJNO-UHFFFAOYSA-N |