N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxo-1-phenylethyl]-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxo-1-phenylethyl]-2,1,3-benzothiadiazole-4-sulfonamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxo-1-phenylethyl]-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | C481-0702 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxo-1-phenylethyl]-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C23 H20 N4 O3 S2 |
| Smiles: | C1CN(Cc2ccccc12)C(C(c1ccccc1)NS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5617 |
| logD: | 3.203 |
| logSw: | -3.596 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.825 |
| InChI Key: | PIJXCFJQEACYDE-OAQYLSRUSA-N |