2,2-dimethyl-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylpropanamide
Chemical Structure Depiction of
2,2-dimethyl-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylpropanamide
2,2-dimethyl-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylpropanamide
Compound characteristics
| Compound ID: | D433-0841 |
| Compound Name: | 2,2-dimethyl-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylpropanamide |
| Molecular Weight: | 339.4 |
| Molecular Formula: | C18 H21 N5 O2 |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(C(C)(C)C)=O)c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1939 |
| logD: | -0.4587 |
| logSw: | -2.774 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.618 |
| InChI Key: | LIUJYTMDABYJQB-UHFFFAOYSA-N |