6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(4-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(4-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(4-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0525 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-[(4-methylphenyl)methylidene]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C26 H22 N2 O2 S |
| Smiles: | Cc1ccc(\C=C2/C(Nc3cc(ccc3S2)C(N2CCc3ccccc3C2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2004 |
| logD: | 5.2004 |
| logSw: | -4.9878 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.155 |
| InChI Key: | SUGSIDFFOUYBNC-UHFFFAOYSA-N |