2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-5965 |
| Compound Name: | 2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 535.46 |
| Molecular Formula: | C27 H23 Br N2 O3 S |
| Smiles: | COc1ccc(/C=C2/C(N(CC(N3CCc4ccccc4C3)=O)c3ccccc3S2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.2917 |
| logD: | 5.2917 |
| logSw: | -5.2834 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.754 |
| InChI Key: | QXLVGTJQVKASHF-UHFFFAOYSA-N |