N-benzyl-N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide
Chemical Structure Depiction of
N-benzyl-N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide
N-benzyl-N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | D524-2836 |
| Compound Name: | N-benzyl-N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluorobenzamide |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C24 H24 F N5 O2 |
| Smiles: | [H]C([H])(CCC)C1=C(C)Nc2nc(nn2C1=O)N(C(c1ccc(cc1)F)=O)C([H])([H])c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.0877 |
| logD: | 4.9115 |
| logSw: | -4.7998 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.801 |
| InChI Key: | IEIMTTBTUWRLGO-UHFFFAOYSA-N |