2-benzylidene-6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-benzylidene-6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
2-benzylidene-6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-9971 |
| Compound Name: | 2-benzylidene-6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 516.66 |
| Molecular Formula: | C33 H28 N2 O2 S |
| Smiles: | Cc1cccc(CN2C(/C(=C/c3ccccc3)Sc3ccc(cc23)C(N2CCc3ccccc3C2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.0906 |
| logD: | 7.0906 |
| logSw: | -5.6077 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.3798 |
| InChI Key: | UBBWBXBJIOTGOV-UHFFFAOYSA-N |