N-benzyl-N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide
Chemical Structure Depiction of
N-benzyl-N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide
N-benzyl-N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide
Compound characteristics
| Compound ID: | D524-2616 |
| Compound Name: | N-benzyl-N-(6-benzyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-fluorobenzamide |
| Molecular Weight: | 467.5 |
| Molecular Formula: | C27 H22 F N5 O2 |
| Smiles: | [H]C([H])(C1=C(C)Nc2nc(nn2C1=O)N(C(c1ccccc1F)=O)C([H])([H])c1ccccc1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.119 |
| logD: | 5.0547 |
| logSw: | -5.0041 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.53 |
| InChI Key: | ORRPZJHTNYEFPX-UHFFFAOYSA-N |