3-[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-[(oxolan-2-yl)methyl]propanamide
Chemical Structure Depiction of
3-[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-[(oxolan-2-yl)methyl]propanamide
3-[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-[(oxolan-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | D527-0361 |
| Compound Name: | 3-[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-[(oxolan-2-yl)methyl]propanamide |
| Molecular Weight: | 421.5 |
| Molecular Formula: | C23 H27 N5 O3 |
| Smiles: | [H]C([H])(C=C)N1C(C)=C(CCC(NCC2CCCO2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1137 |
| logD: | 2.1137 |
| logSw: | -2.4583 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.587 |
| InChI Key: | BDMDJCXLYHSAAM-GOSISDBHSA-N |