N-butyl-3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Chemical Structure Depiction of
N-butyl-3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
N-butyl-3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Compound characteristics
| Compound ID: | D527-0101 |
| Compound Name: | N-butyl-3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide |
| Molecular Weight: | 381.48 |
| Molecular Formula: | C21 H27 N5 O2 |
| Smiles: | [H]C([H])([H])C([H])([H])N1C(C)=C(CCC(NCCCC)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.126 |
| logD: | 3.126 |
| logSw: | -3.1176 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.792 |
| InChI Key: | DPWFXKQYASNOKW-UHFFFAOYSA-N |