N-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
N-[(4-methylphenyl)methyl]-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
Compound characteristics
| Compound ID: | D494-0588 |
| Compound Name: | N-[(4-methylphenyl)methyl]-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(CNC(CCNc2cc(C)nc3nc(c4cccnc4)nn23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9981 |
| logD: | 1.8445 |
| logSw: | -2.0814 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.993 |
| InChI Key: | ZKJHXOWUPHGZHA-UHFFFAOYSA-N |