6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-methyl-3-oxopropane-1-sulfonyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-methyl-3-oxopropane-1-sulfonyl]-2H-1,4-benzothiazin-3(4H)-one
6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-methyl-3-oxopropane-1-sulfonyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | E912-0705 |
| Compound Name: | 6-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-methyl-3-oxopropane-1-sulfonyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 430.54 |
| Molecular Formula: | C21 H22 N2 O4 S2 |
| Smiles: | CC(CS(c1ccc2c(c1)NC(CS2)=O)(=O)=O)C(N1CCc2ccccc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9964 |
| logD: | 1.9963 |
| logSw: | -2.8393 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.406 |
| InChI Key: | HFAULTVPCLRJNG-AWEZNQCLSA-N |