6-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutane-2-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutane-2-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutane-2-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E667-1107 |
| Compound Name: | 6-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutane-2-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C21 H22 N2 O5 S |
| Smiles: | CC(CC(N1CCc2ccccc2C1)=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7124 |
| logD: | 1.7123 |
| logSw: | -2.7576 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.064 |
| InChI Key: | GHBDXQQLEDCGAB-AWEZNQCLSA-N |