N-[(3,4-dimethoxyphenyl)methyl]-N~3~-(pyrimidin-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-N~3~-(pyrimidin-2-yl)-beta-alaninamide
N-[(3,4-dimethoxyphenyl)methyl]-N~3~-(pyrimidin-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | Y041-7224 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-N~3~-(pyrimidin-2-yl)-beta-alaninamide |
| Molecular Weight: | 316.36 |
| Molecular Formula: | C16 H20 N4 O3 |
| Smiles: | COc1ccc(CNC(CCNc2ncccn2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.299 |
| logD: | 0.2989 |
| logSw: | -1.8857 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.616 |
| InChI Key: | PSZJYDCRZVKNMX-UHFFFAOYSA-N |