6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-benzylidene-4-[(3-methylphenyl)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-benzylidene-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-benzylidene-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-9966 |
| Compound Name: | 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-benzylidene-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 603.74 |
| Molecular Formula: | C36 H33 N3 O4 S |
| Smiles: | Cc1cccc(CN2C(/C(=C/c3ccccc3)Sc3ccc(cc23)C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4088 |
| logD: | 6.2172 |
| logSw: | -5.5974 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.374 |
| InChI Key: | UIAHMXGSCLHXPK-UHFFFAOYSA-N |