5-methyl-2-{[(4-methylphenyl)methyl]amino}-6-[3-oxo-3-(piperidin-1-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-methyl-2-{[(4-methylphenyl)methyl]amino}-6-[3-oxo-3-(piperidin-1-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-methyl-2-{[(4-methylphenyl)methyl]amino}-6-[3-oxo-3-(piperidin-1-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D481-0110 |
| Compound Name: | 5-methyl-2-{[(4-methylphenyl)methyl]amino}-6-[3-oxo-3-(piperidin-1-yl)propyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C22 H28 N6 O2 |
| Smiles: | CC1=C(CCC(N2CCCCC2)=O)C(n2c(N1)nc(NCc1ccc(C)cc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4702 |
| logD: | 2.427 |
| logSw: | -2.9004 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.013 |
| InChI Key: | VUYGFIMZQWMNKU-UHFFFAOYSA-N |