2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethoxyphenyl)acetamide
2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | D584-0237 |
| Compound Name: | 2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 493.57 |
| Molecular Formula: | C29 H27 N5 O3 |
| Smiles: | [H]C([H])(c1ccccc1)N1C(C)=C(CC(Nc2ccc(cc2)OCC)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3055 |
| logD: | 5.3055 |
| logSw: | -5.2189 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.484 |
| InChI Key: | VPHUFWUIKWCKRS-UHFFFAOYSA-N |