3-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(oxolan-2-yl)methyl]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-[(oxolan-2-yl)methyl]propanamide
3-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(oxolan-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | D527-0461 |
| 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-[(oxolan-2-yl)methyl]propanamide |
| Molecular Weight: | 471.56 |
| Molecular Formula: | C27 H29 N5 O3 |
| Smiles: | [H]C([H])(c1ccccc1)N1C(C)=C(CCC(NCC2CCCO2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2299 |
| logD: | 3.2299 |
| logSw: | -3.3001 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.337 |
| InChI Key: | KYXKHHDFRIGGNK-JOCHJYFZSA-N |