2-[5-methyl-2-(4-methylphenyl)-7-oxo-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-2-(4-methylphenyl)-7-oxo-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-2-(4-methylphenyl)-7-oxo-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: | D584-0477 |
| Compound Name: | 2-[5-methyl-2-(4-methylphenyl)-7-oxo-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: | 469.59 |
| Molecular Formula: | C28 H31 N5 O2 |
| Smiles: | [H]C([H])(C=C)N1C(C)=C(CC(NC(C)CCc2ccccc2)=O)C(n2c1nc(c1ccc(C)cc1)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0324 |
| logD: | 5.0324 |
| logSw: | -4.6446 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.374 |
| InChI Key: | KWWVAEUDJCBBFD-FQEVSTJZSA-N |