N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | E155-1055 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C24 H23 N3 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(CNC(c1ccc2c(c1)OCO2)=O)c1cccnc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0206 |
| logD: | 3.0184 |
| logSw: | -3.1867 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.936 |
| InChI Key: | PQAOTCGBWCMCFB-NRFANRHFSA-N |