2-benzylidene-6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-benzylidene-6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
2-benzylidene-6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
Compound ID: | K788-9745 |
Compound Name: | 2-benzylidene-6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
Molecular Weight: | 594.18 |
Molecular Formula: | C35 H32 Cl N3 O2 S |
Smiles: | Cc1cccc(CN2C(/C(=C/c3ccccc3)Sc3ccc(cc23)C(N2CCN(CC2)c2cc(ccc2C)[Cl])=O)=O)c1 |
Stereo: | ACHIRAL |
logP: | 8.1392 |
logD: | 8.1392 |
logSw: | -6.2515 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 34.677 |
InChI Key: | LLIABRQCSKLUAT-UHFFFAOYSA-N |