N-(2,4-dimethylphenyl)-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
N-(2,4-dimethylphenyl)-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | D494-0568 |
| Compound Name: | N-(2,4-dimethylphenyl)-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide |
| Molecular Weight: | 401.47 |
| Molecular Formula: | C22 H23 N7 O |
| Smiles: | Cc1ccc(c(C)c1)NC(CCNc1cc(C)nc2nc(c3cccnc3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3571 |
| logD: | 2.2035 |
| logSw: | -2.4171 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.973 |
| InChI Key: | ANXVEWOREHKSBL-UHFFFAOYSA-N |