3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide
Chemical Structure Depiction of
3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide
3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide
Compound characteristics
| Compound ID: | D481-0106 |
| Compound Name: | 3-(5-methyl-2-{[(4-methylphenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propylpropanamide |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C20 H26 N6 O2 |
| Smiles: | CCCNC(CCC1=C(C)Nc2nc(NCc3ccc(C)cc3)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9443 |
| logD: | 1.9011 |
| logSw: | -2.4641 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.205 |
| InChI Key: | YBAIJJFZNKBXTD-UHFFFAOYSA-N |