(4-fluorophenyl)(4-{7-hydroxy-3-[(3-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(4-fluorophenyl)(4-{7-hydroxy-3-[(3-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(4-fluorophenyl)(4-{7-hydroxy-3-[(3-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D122-0059 |
| Compound Name: | (4-fluorophenyl)(4-{7-hydroxy-3-[(3-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C24 H23 F N6 O2 |
| Smiles: | Cc1cccc(Cn2c3c(c(nc(C4CCN(CC4)C(c4ccc(cc4)F)=O)n3)O)nn2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.044 |
| logD: | 2.5899 |
| logSw: | -2.8119 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.202 |
| InChI Key: | XUNLXJZEBCWEKP-UHFFFAOYSA-N |