2-benzylidene-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-benzylidene-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
2-benzylidene-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-1089 |
| Compound Name: | 2-benzylidene-4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C26 H22 N2 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(CN1C(/C(=C/c2ccccc2)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.941 |
| logD: | 4.941 |
| logSw: | -4.7244 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.1239 |
| InChI Key: | HXJAUIFLRNDDFZ-UHFFFAOYSA-N |