2-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(3-chlorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(3-chlorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
2-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(3-chlorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
Compound ID: | K788-9013 |
Compound Name: | 2-{[4-(4-benzylpiperazine-1-carbonyl)phenyl]methylidene}-4-[(3-chlorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
Molecular Weight: | 580.15 |
Molecular Formula: | C34 H30 Cl N3 O2 S |
Smiles: | C1CN(CCN1Cc1ccccc1)C(c1ccc(\C=C2/C(N(Cc3cccc(c3)[Cl])c3ccccc3S2)=O)cc1)=O |
Stereo: | ACHIRAL |
logP: | 6.5287 |
logD: | 6.5133 |
logSw: | -6.4012 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 35.258 |
InChI Key: | LCDBAZKQQAAAPD-UHFFFAOYSA-N |