2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-[(4-methylpiperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-[(4-methylpiperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-[(4-methylpiperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0359 |
| Compound Name: | 2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-[(4-methylpiperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C21 H28 N6 O3 |
| Smiles: | CC1CCN(CC1)CC1=CC(n2c(N1)nc(NCc1ccc(c(c1)OC)OC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8114 |
| logD: | 1.8114 |
| logSw: | -2.4862 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.974 |
| InChI Key: | TVSGBQSGETXCAR-UHFFFAOYSA-N |