2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-[(piperidin-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-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0361 |
| Compound Name: | 2-{[(3,4-dimethoxyphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C20 H26 N6 O3 |
| Smiles: | COc1ccc(CNc2nc3NC(CN4CCCCC4)=CC(n3n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.4208 |
| logD: | 1.4208 |
| logSw: | -2.2303 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.974 |
| InChI Key: | LAASQMGYBSEYAF-UHFFFAOYSA-N |