(2-chlorophenyl)(4-{3-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(2-chlorophenyl)(4-{3-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(2-chlorophenyl)(4-{3-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D122-0011 |
| Compound Name: | (2-chlorophenyl)(4-{3-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 508.96 |
| Molecular Formula: | C25 H25 Cl N6 O4 |
| Smiles: | COc1ccc(Cn2c3c(c(nc(C4CCN(CC4)C(c4ccccc4[Cl])=O)n3)O)nn2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.3552 |
| logD: | 1.9012 |
| logSw: | -3.1052 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.463 |
| InChI Key: | YWIOWKOYZQNLBG-UHFFFAOYSA-N |