2-{[(4-chlorophenyl)methyl]amino}-5-[(2-ethylpiperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-5-[(2-ethylpiperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]amino}-5-[(2-ethylpiperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0069 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-5-[(2-ethylpiperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 400.91 |
| Molecular Formula: | C20 H25 Cl N6 O |
| Smiles: | CCC1CCCCN1CC1=CC(n2c(N1)nc(NCc1ccc(cc1)[Cl])n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0753 |
| logD: | 3.0753 |
| logSw: | -3.571 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.525 |
| InChI Key: | DZJNVTZDDAFDKE-KRWDZBQOSA-N |