N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)ethyl]ethanediamide
Chemical Structure Depiction of
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)ethyl]ethanediamide
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)ethyl]ethanediamide
Compound characteristics
| Compound ID: | E155-1142 |
| Compound Name: | N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~2~-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)ethyl]ethanediamide |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C26 H26 N4 O4 |
| Smiles: | C1CN(Cc2ccccc12)C(CNC(C(Nc1ccc2c(c1)OCCO2)=O)=O)c1cccnc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5687 |
| logD: | 0.8205 |
| logSw: | -1.9446 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.007 |
| InChI Key: | DNFOZFUXBWCPIF-QFIPXVFZSA-N |