5-[(azepan-1-yl)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-[(azepan-1-yl)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
5-[(azepan-1-yl)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D489-0091 |
| Compound Name: | 5-[(azepan-1-yl)methyl]-2-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 377.85 |
| Molecular Formula: | C18 H20 F N5 O |
| Salt: | HCl |
| Smiles: | C1CCCN(CC1)CC1=CC(n2c(N1)nc(c1ccc(cc1)F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9134 |
| logD: | 1.8821 |
| logSw: | -3.305 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.404 |
| InChI Key: | YBYBGRJEXSITJJ-UHFFFAOYSA-N |