5-[(azepan-1-yl)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(azepan-1-yl)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(azepan-1-yl)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0220 |
| Compound Name: | 5-[(azepan-1-yl)methyl]-2-{[(4-methoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C20 H26 N6 O2 |
| Smiles: | COc1ccc(CNc2nc3NC(CN4CCCCCC4)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2842 |
| logD: | 2.2842 |
| logSw: | -2.8901 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.588 |
| InChI Key: | VPXJFVDNHFKCSO-UHFFFAOYSA-N |