2-{[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-{[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
2-{[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-7959 |
| Compound Name: | 2-{[4-(4-benzylpiperidine-1-carbonyl)phenyl]methylidene}-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 558.74 |
| Molecular Formula: | C36 H34 N2 O2 S |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(N3CCC(CC3)Cc3ccccc3)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 8.1743 |
| logD: | 8.1743 |
| logSw: | -5.7214 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.4463 |
| InChI Key: | SAACOTUICNWTKZ-UHFFFAOYSA-N |