N-{2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(dimethylamino)phenyl]ethyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-{2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(dimethylamino)phenyl]ethyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-{2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(dimethylamino)phenyl]ethyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | G501-0430 |
| Compound Name: | N-{2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(dimethylamino)phenyl]ethyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Smiles: | CN(C)c1ccc(cc1)C(CNS(c1ccc2c(c1)OCCO2)(=O)=O)N1CCc2ccccc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7887 |
| logD: | 3.7841 |
| logSw: | -3.8865 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.276 |
| InChI Key: | HPGVALACHSOTKR-VWLOTQADSA-N |