6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(4-methoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(4-methoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(4-methoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-7179 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(4-methoxyphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C26 H22 N2 O3 S |
| Smiles: | COc1ccc(\C=C2/C(Nc3cc(ccc3S2)C(N2CCc3ccccc3C2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7594 |
| logD: | 4.7594 |
| logSw: | -4.4216 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.698 |
| InChI Key: | CFGMNBVSMGXJIC-UHFFFAOYSA-N |