(2E)-2-{[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
(2E)-2-{[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
(2E)-2-{[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-9137 |
| Compound Name: | (2E)-2-{[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 496.67 |
| Molecular Formula: | C31 H32 N2 O2 S |
| Smiles: | CC1CC(C)CN(C1)C(c1ccc(\C=C2/C(N(Cc3cccc(C)c3)c3ccccc3S2)=O)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.0844 |
| logD: | 7.0844 |
| logSw: | -5.6095 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.5847 |
| InChI Key: | XBQNKITWJWQBAX-UHFFFAOYSA-N |