N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)butanamide
Chemical Structure Depiction of
N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)butanamide
N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)butanamide
Compound characteristics
| Compound ID: | D433-0753 |
| Compound Name: | N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)butanamide |
| Molecular Weight: | 339.4 |
| Molecular Formula: | C18 H21 N5 O2 |
| Smiles: | CCCC(N(Cc1nc2NC(C)=CC(n2n1)=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6639 |
| logD: | 0.0113 |
| logSw: | -2.932 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.091 |
| InChI Key: | UICISXFPPMSBIR-UHFFFAOYSA-N |