4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-[(4-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-[(4-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-[(4-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C312-0620 |
| Compound Name: | 4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-[(4-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C27 H24 N2 O2 S |
| Smiles: | Cc1ccc(\C=C2/C(N(CC(N3CCc4ccccc4C3)=O)c3ccccc3S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3601 |
| logD: | 5.3601 |
| logSw: | -5.3029 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.1239 |
| InChI Key: | OYFSUUJGRSEZJV-UHFFFAOYSA-N |