N-(3-cyanophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methylpyrimidin-4-yl]oxy}acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methylpyrimidin-4-yl]oxy}acetamide
N-(3-cyanophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methylpyrimidin-4-yl]oxy}acetamide
Compound characteristics
| Compound ID: | L868-1460 |
| Compound Name: | N-(3-cyanophenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-methylpyrimidin-4-yl]oxy}acetamide |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C23 H21 N5 O2 |
| Smiles: | Cc1cc(nc(n1)N1CCc2ccccc2C1)OCC(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4658 |
| logD: | 4.4656 |
| logSw: | -4.263 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.991 |
| InChI Key: | PFQHOCMFOVWJDI-UHFFFAOYSA-N |