N-[3-(azepan-1-yl)propyl]-2-{2-[(3-chlorophenyl)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-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
N-[3-(azepan-1-yl)propyl]-2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-2487 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide |
| Molecular Weight: | 484.06 |
| Molecular Formula: | C26 H30 Cl N3 O2 S |
| Smiles: | C1CCCN(CC1)CCCNC(CN1C(/C(=C/c2cccc(c2)[Cl])Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8069 |
| logD: | 2.1783 |
| logSw: | -4.7463 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.696 |
| InChI Key: | WVPHBASMMAONQS-UHFFFAOYSA-N |