5-[(azepan-1-yl)methyl]-2-{[(4-ethylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(azepan-1-yl)methyl]-2-{[(4-ethylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(azepan-1-yl)methyl]-2-{[(4-ethylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0470 |
| Compound Name: | 5-[(azepan-1-yl)methyl]-2-{[(4-ethylphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 380.49 |
| Molecular Formula: | C21 H28 N6 O |
| Smiles: | CCc1ccc(CNc2nc3NC(CN4CCCCCC4)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2325 |
| logD: | 3.2325 |
| logSw: | -3.3364 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.044 |
| InChI Key: | OYEISKQIKXLGRK-UHFFFAOYSA-N |