2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(pyridin-3-yl)methyl]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-[(pyridin-3-yl)methyl]acetamide
2-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | D584-0264 |
| 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-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 464.53 |
| Molecular Formula: | C27 H24 N6 O2 |
| Smiles: | [H]C([H])(c1ccccc1)N1C(C)=C(CC(NCc2cccnc2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3712 |
| logD: | 3.3688 |
| logSw: | -3.1753 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.2 |
| InChI Key: | PLYJVNXRVYUWFN-UHFFFAOYSA-N |