5-[(azepan-1-yl)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-[(azepan-1-yl)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-[(azepan-1-yl)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D351-0187 |
| Compound Name: | 5-[(azepan-1-yl)methyl]-2-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C19 H23 N5 O2 |
| Smiles: | COc1ccc(cc1)c1nc2NC(CN3CCCCCC3)=CC(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8667 |
| logD: | 1.8354 |
| logSw: | -3.3785 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.948 |
| InChI Key: | KWIHYCXNWCWNPO-UHFFFAOYSA-N |