N-[3-(4-benzylpiperidin-1-yl)propyl]-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-3365 |
| Compound Name: | N-[3-(4-benzylpiperidin-1-yl)propyl]-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetamide |
| Molecular Weight: | 604.61 |
| Molecular Formula: | C32 H34 Br N3 O2 S |
| Smiles: | C(CNC(CN1C(/C(=C\c2cccc(c2)[Br])Sc2ccccc12)=O)=O)CN1CCC(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.5854 |
| logD: | 4.4933 |
| logSw: | -6.0215 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.093 |
| InChI Key: | ZITYFMSTHLEETN-UHFFFAOYSA-N |