1-(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)pentan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)pentan-1-one--hydrogen chloride (1/1)
1-(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)pentan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D203-0076 |
| Compound Name: | 1-(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)pentan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 448.93 |
| Molecular Formula: | C21 H25 F N6 O2 |
| Salt: | HCl |
| Smiles: | CCCCC(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccccc1F)nn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6942 |
| logD: | 2.2402 |
| logSw: | -2.5576 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.946 |
| InChI Key: | CORZTJJAVRYRNX-UHFFFAOYSA-N |