(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)[1-(4-methylphenyl)cyclopropyl]methanone
Chemical Structure Depiction of
(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)[1-(4-methylphenyl)cyclopropyl]methanone
(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)[1-(4-methylphenyl)cyclopropyl]methanone
Compound characteristics
| Compound ID: | D203-0111 |
| Compound Name: | (4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)[1-(4-methylphenyl)cyclopropyl]methanone |
| Molecular Weight: | 486.55 |
| Molecular Formula: | C27 H27 F N6 O2 |
| Smiles: | Cc1ccc(cc1)C1(CC1)C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccccc1F)nn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7026 |
| logD: | 3.2485 |
| logSw: | -3.8161 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.454 |
| InChI Key: | BHWFQCFRXILHMJ-UHFFFAOYSA-N |