(2-chlorophenyl)(3-{7-hydroxy-3-[(3-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(2-chlorophenyl)(3-{7-hydroxy-3-[(3-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(2-chlorophenyl)(3-{7-hydroxy-3-[(3-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D023-0053 |
| Compound Name: | (2-chlorophenyl)(3-{7-hydroxy-3-[(3-methoxyphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 478.94 |
| Molecular Formula: | C24 H23 Cl N6 O3 |
| Smiles: | COc1cccc(Cn2c3c(c(nc(C4CCCN(C4)C(c4ccccc4[Cl])=O)n3)O)nn2)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8737 |
| logD: | 2.0695 |
| logSw: | -3.3733 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.679 |
| InChI Key: | CYBMUTHJOSTTOV-INIZCTEOSA-N |