3-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2,4-dimethoxyphenyl)propanamide
Chemical Structure Depiction of
3-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2,4-dimethoxyphenyl)propanamide
3-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2,4-dimethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | D527-0431 |
| Compound Name: | 3-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2,4-dimethoxyphenyl)propanamide |
| Molecular Weight: | 523.59 |
| Molecular Formula: | C30 H29 N5 O4 |
| Smiles: | [H]C([H])(c1ccccc1)N1C(C)=C(CCC(Nc2ccc(cc2OC)OC)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8193 |
| logD: | 4.8185 |
| logSw: | -4.5904 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.837 |
| InChI Key: | BKTJODPVGNRJSP-UHFFFAOYSA-N |