(4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(3-chlorophenyl)methanone
Chemical Structure Depiction of
(4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(3-chlorophenyl)methanone
(4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(3-chlorophenyl)methanone
Compound characteristics
| Compound ID: | D203-0155 |
| Compound Name: | (4-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)(3-chlorophenyl)methanone |
| Molecular Weight: | 492.92 |
| Molecular Formula: | C24 H21 Cl N6 O4 |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1ccc3c(c1)OCO3)nn2)O)C(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8182 |
| logD: | 2.3642 |
| logSw: | -3.2787 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.317 |
| InChI Key: | MZVNUGXSPHKWBL-UHFFFAOYSA-N |