(2H-1,3-benzodioxol-5-yl)(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(2H-1,3-benzodioxol-5-yl)(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D203-0051 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 492.92 |
| Molecular Formula: | C24 H21 Cl N6 O4 |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1cccc(c1)[Cl])nn2)O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8621 |
| logD: | 2.4081 |
| logSw: | -3.3268 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.317 |
| InChI Key: | YRGHHXSSPVEONR-UHFFFAOYSA-N |