1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N~3~,N~4~-dimethyl-1H-pyrrole-3,4-disulfonamide
Chemical Structure Depiction of
1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N~3~,N~4~-dimethyl-1H-pyrrole-3,4-disulfonamide
1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N~3~,N~4~-dimethyl-1H-pyrrole-3,4-disulfonamide
Compound characteristics
| Compound ID: | E882-1321 |
| Compound Name: | 1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N~3~,N~4~-dimethyl-1H-pyrrole-3,4-disulfonamide |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C17 H22 N4 O5 S2 |
| Smiles: | CNS(c1cn(CC(N2CCc3ccccc3C2)=O)cc1S(NC)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1095 |
| logD: | 0.1095 |
| logSw: | -2.2299 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.19 |
| InChI Key: | BGWPBHLKSPUZRF-UHFFFAOYSA-N |