N~1~-(2H-1,3-benzodioxol-5-yl)-N~2~-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)ethyl]ethanediamide
Chemical Structure Depiction of
N~1~-(2H-1,3-benzodioxol-5-yl)-N~2~-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)ethyl]ethanediamide
N~1~-(2H-1,3-benzodioxol-5-yl)-N~2~-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)ethyl]ethanediamide
Compound characteristics
| Compound ID: | E155-1140 |
| Compound Name: | N~1~-(2H-1,3-benzodioxol-5-yl)-N~2~-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)ethyl]ethanediamide |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C25 H24 N4 O4 |
| Smiles: | C1CN(Cc2ccccc12)C(CNC(C(Nc1ccc2c(c1)OCO2)=O)=O)c1cccnc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4293 |
| logD: | 1.681 |
| logSw: | -2.7078 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.299 |
| InChI Key: | JMIPTCNFUUCHDE-NRFANRHFSA-N |