(4-tert-butylphenyl)(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(4-tert-butylphenyl)(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(4-tert-butylphenyl)(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
Compound ID: | D203-0079 |
Compound Name: | (4-tert-butylphenyl)(4-{3-[(2-fluorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
Molecular Weight: | 488.56 |
Molecular Formula: | C27 H29 F N6 O2 |
Smiles: | CC(C)(C)c1ccc(cc1)C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1ccccc1F)nn2)O)=O |
Stereo: | ACHIRAL |
logP: | 4.4755 |
logD: | 4.0215 |
logSw: | -4.1901 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.202 |
InChI Key: | MOCKTIMTJBJYFW-UHFFFAOYSA-N |