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-[(oxolan-2-yl)methyl]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-[(oxolan-2-yl)methyl]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-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | D584-0461 |
| 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-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C23 H27 N5 O3 |
| Smiles: | [H]C([H])(C=C)N1C(C)=C(CC(NCC2CCCO2)=O)C(n2c1nc(c1ccc(C)cc1)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4668 |
| logD: | 2.4668 |
| logSw: | -2.6821 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.587 |
| InChI Key: | NOPVMAPUSMBGIT-GOSISDBHSA-N |