2-benzylidene-4-[(3-methylphenyl)methyl]-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-benzylidene-4-[(3-methylphenyl)methyl]-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
2-benzylidene-4-[(3-methylphenyl)methyl]-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
Compound ID: | K788-9716 |
Compound Name: | 2-benzylidene-4-[(3-methylphenyl)methyl]-6-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2H-1,4-benzothiazin-3(4H)-one |
Molecular Weight: | 547.68 |
Molecular Formula: | C32 H29 N5 O2 S |
Smiles: | Cc1cccc(CN2C(/C(=C/c3ccccc3)Sc3ccc(cc23)C(N2CCN(CC2)c2ncccn2)=O)=O)c1 |
Stereo: | ACHIRAL |
logP: | 6.0212 |
logD: | 6.0212 |
logSw: | -5.4874 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 53.34 |
InChI Key: | HRBJESWJLGFZPM-UHFFFAOYSA-N |