2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(2-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(2-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(2-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-9054 |
| Compound Name: | 2-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methylidene]-4-[(2-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 603.74 |
| Molecular Formula: | C36 H33 N3 O4 S |
| Smiles: | Cc1ccccc1CN1C(/C(=C\c2ccc(cc2)C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3631 |
| logD: | 6.1715 |
| logSw: | -5.4942 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.374 |
| InChI Key: | GSKRHXSZCCJWHW-UHFFFAOYSA-N |