2-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenylbutan-2-yl)acetamide
Chemical Structure Depiction of
2-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenylbutan-2-yl)acetamide
2-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenylbutan-2-yl)acetamide
Compound characteristics
| Compound ID: | D584-0177 |
| Compound Name: | 2-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenylbutan-2-yl)acetamide |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C27 H29 N5 O2 |
| Smiles: | [H]C([H])(C=C)N1C(C)=C(CC(NC(C)CCc2ccccc2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.504 |
| logD: | 4.504 |
| logSw: | -4.3806 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.374 |
| InChI Key: | QXSUWKISRJZSFB-IBGZPJMESA-N |