N-(3-cyanophenyl)-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide
N-(3-cyanophenyl)-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide
Compound characteristics
| Compound ID: | P194-1360 |
| Compound Name: | N-(3-cyanophenyl)-2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C23 H21 N5 O2 |
| Smiles: | CC1=CC(N(CC(Nc2cccc(C#N)c2)=O)C(=N1)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8653 |
| logD: | 2.8652 |
| logSw: | -3.3027 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.824 |
| InChI Key: | QRKPLCLVGZNMNM-UHFFFAOYSA-N |