(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)[4-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)[4-(trifluoromethyl)phenyl]methanone
(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)[4-(trifluoromethyl)phenyl]methanone
Compound characteristics
| Compound ID: | D203-0062 |
| Compound Name: | (4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)[4-(trifluoromethyl)phenyl]methanone |
| Molecular Weight: | 496.49 |
| Molecular Formula: | C25 H23 F3 N6 O2 |
| Smiles: | Cc1ccc(Cn2c3c(c(nc(C4CCN(CC4)C(c4ccc(cc4)C(F)(F)F)=O)n3)O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6644 |
| logD: | 3.2104 |
| logSw: | -3.6428 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.202 |
| InChI Key: | HSRRZHAXAPBBGT-UHFFFAOYSA-N |