(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-ethoxyphenyl)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-ethoxyphenyl)methanone
(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-ethoxyphenyl)methanone
Compound characteristics
| Compound ID: | D203-0049 |
| Compound Name: | (4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(4-ethoxyphenyl)methanone |
| Molecular Weight: | 492.96 |
| Molecular Formula: | C25 H25 Cl N6 O3 |
| Smiles: | CCOc1ccc(cc1)C(N1CCC(CC1)c1nc(c2c(n1)n(Cc1cccc(c1)[Cl])nn2)O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3927 |
| logD: | 2.9387 |
| logSw: | -3.6616 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.326 |
| InChI Key: | XHQYTKFHPIDQNR-UHFFFAOYSA-N |