N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbutanamide
Chemical Structure Depiction of
N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbutanamide
N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbutanamide
Compound characteristics
| Compound ID: | D433-0803 |
| Compound Name: | N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbutanamide |
| Molecular Weight: | 325.37 |
| Molecular Formula: | C17 H19 N5 O2 |
| Smiles: | CCCC(N(Cc1nc2NC(C)=CC(n2n1)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.119 |
| logD: | -0.5336 |
| logSw: | -2.7348 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.091 |
| InChI Key: | IZGFLGDUEQMHHT-UHFFFAOYSA-N |