(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)[4-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)[4-(trifluoromethyl)phenyl]methanone
(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)[4-(trifluoromethyl)phenyl]methanone
Compound characteristics
| Compound ID: | D203-0052 |
| Compound Name: | (4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)[4-(trifluoromethyl)phenyl]methanone |
| Molecular Weight: | 516.91 |
| Molecular Formula: | C24 H20 Cl F3 N6 O2 |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1cccc(c1)[Cl])nn2)O)C(c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8965 |
| logD: | 3.4425 |
| logSw: | -4.2686 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.202 |
| InChI Key: | SOZIZTGZXJQXPJ-UHFFFAOYSA-N |