6-(4-benzylpiperidine-1-carbonyl)-2-[(3,4-dimethoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-(4-benzylpiperidine-1-carbonyl)-2-[(3,4-dimethoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
6-(4-benzylpiperidine-1-carbonyl)-2-[(3,4-dimethoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8854 |
| Compound Name: | 6-(4-benzylpiperidine-1-carbonyl)-2-[(3,4-dimethoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 514.64 |
| Molecular Formula: | C30 H30 N2 O4 S |
| Smiles: | COc1ccc(\C=C2/C(Nc3cc(ccc3S2)C(N2CCC(CC2)Cc2ccccc2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.4771 |
| logD: | 5.4771 |
| logSw: | -5.6256 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.482 |
| InChI Key: | AFLUKJJOTSMHQB-UHFFFAOYSA-N |