(3-{3-[(4-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(phenyl)methanone
Chemical Structure Depiction of
(3-{3-[(4-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(phenyl)methanone
(3-{3-[(4-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(phenyl)methanone
Compound characteristics
| Compound ID: | D023-0018 |
| Compound Name: | (3-{3-[(4-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(phenyl)methanone |
| Molecular Weight: | 448.91 |
| Molecular Formula: | C23 H21 Cl N6 O2 |
| Smiles: | C1CC(CN(C1)C(c1ccccc1)=O)c1nc(c2c(n1)n(Cc1ccc(cc1)[Cl])nn2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8941 |
| logD: | 2.0898 |
| logSw: | -3.316 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.135 |
| InChI Key: | MDAGRPKSVHDQLL-KRWDZBQOSA-N |