(2-chlorophenyl)(4-{7-hydroxy-3-[(thiophen-3-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Chemical Structure Depiction of
(2-chlorophenyl)(4-{7-hydroxy-3-[(thiophen-3-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
(2-chlorophenyl)(4-{7-hydroxy-3-[(thiophen-3-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone
Compound characteristics
| Compound ID: | D122-0047 |
| Compound Name: | (2-chlorophenyl)(4-{7-hydroxy-3-[(thiophen-3-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)methanone |
| Molecular Weight: | 454.94 |
| Molecular Formula: | C21 H19 Cl N6 O2 S |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1ccsc1)nn2)O)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4951 |
| logD: | 2.0411 |
| logSw: | -3.0597 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.22 |
| InChI Key: | OTBBNHJRWPLBDG-UHFFFAOYSA-N |