6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-benzylidene-4-[(4-fluorophenyl)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-[(4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-benzylidene-4-[(4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-8705 |
| Compound Name: | 6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-benzylidene-4-[(4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 607.7 |
| Molecular Formula: | C35 H30 F N3 O4 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(/C(=C/c1ccccc1)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7913 |
| logD: | 5.5997 |
| logSw: | -6.0511 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.374 |
| InChI Key: | SOEUXZMIFLNRQB-UHFFFAOYSA-N |