5-[(azepan-1-yl)methyl]-2-{[(3,4-dimethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(azepan-1-yl)methyl]-2-{[(3,4-dimethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(azepan-1-yl)methyl]-2-{[(3,4-dimethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0370 |
| Compound Name: | 5-[(azepan-1-yl)methyl]-2-{[(3,4-dimethoxyphenyl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C21 H28 N6 O3 |
| Smiles: | COc1ccc(CNc2nc3NC(CN4CCCCCC4)=CC(n3n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.9167 |
| logD: | 1.9167 |
| logSw: | -2.7648 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.305 |
| InChI Key: | HZWPOCRXKFTLRI-UHFFFAOYSA-N |