2-[6-benzyl-5-methyl-2-(4-methylphenyl)-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]-N-(2-methoxyethyl)acetamide
Chemical Structure Depiction of
2-[6-benzyl-5-methyl-2-(4-methylphenyl)-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]-N-(2-methoxyethyl)acetamide
2-[6-benzyl-5-methyl-2-(4-methylphenyl)-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]-N-(2-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | D584-4270 |
| Compound Name: | 2-[6-benzyl-5-methyl-2-(4-methylphenyl)-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-4(7H)-yl]-N-(2-methoxyethyl)acetamide |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Smiles: | [H]C([H])(C1=C(C)N(CC(NCCOC)=O)c2nc(c3ccc(C)cc3)nn2C1=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4696 |
| logD: | 3.4696 |
| logSw: | -3.5301 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.138 |
| InChI Key: | CTNMGMHRLNUOFB-UHFFFAOYSA-N |