2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethylidene]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethylidene]-2H-1,4-benzothiazin-3(4H)-one
2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethylidene]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C306-0577 |
| Compound Name: | 2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethylidene]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 336.41 |
| Molecular Formula: | C19 H16 N2 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(/C=C1/C(Nc2ccccc2S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0716 |
| logD: | 3.0716 |
| logSw: | -3.3786 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.899 |
| InChI Key: | GLNXNOHBGGRXJN-UHFFFAOYSA-N |