6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-[(2-fluorophenyl)methylidene]-4-methyl-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-[(2-fluorophenyl)methylidene]-4-methyl-2H-1,4-benzothiazin-3(4H)-one
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-[(2-fluorophenyl)methylidene]-4-methyl-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-7551 |
| Compound Name: | 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-[(2-fluorophenyl)methylidene]-4-methyl-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 531.61 |
| Molecular Formula: | C29 H26 F N3 O4 S |
| Smiles: | CN1C(/C(=C\c2ccccc2F)Sc2ccc(cc12)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0742 |
| logD: | 3.8826 |
| logSw: | -4.2035 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.411 |
| InChI Key: | XUIWXYNIJWNCBR-UHFFFAOYSA-N |