6-(4-benzylpiperazine-1-carbonyl)-2-[(3,4-dimethoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-(4-benzylpiperazine-1-carbonyl)-2-[(3,4-dimethoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
6-(4-benzylpiperazine-1-carbonyl)-2-[(3,4-dimethoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8874 |
| Compound Name: | 6-(4-benzylpiperazine-1-carbonyl)-2-[(3,4-dimethoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C29 H29 N3 O4 S |
| Smiles: | COc1ccc(\C=C2/C(Nc3cc(ccc3S2)C(N2CCN(CC2)Cc2ccccc2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.8226 |
| logD: | 3.8072 |
| logSw: | -4.0599 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.294 |
| InChI Key: | RRAQKMJTZOWQHS-UHFFFAOYSA-N |